PubChemLite - Cx-659s (C25H28N4O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=C(CC[C@@](O2)(C)C(=O)NC3=C(N(C(=O)N(C3=O)C)C4=CC=CC=C4)N)C(=C1O)C)C

InChI

InChI=1S/C25H28N4O5/c1-13-14(2)20-17(15(3)19(13)30)11-12-25(4,34-20)23(32)27-18-21(26)29(16-9-7-6-8-10-16)24(33)28(5)22(18)31/h6-10,30H,11-12,26H2,1-5H3,(H,27,32)/t25-/m0/s1

InChIKey

NOYZWUQUALADDO-VWLOTQADSA-N

Compound name

(2S)-N-(4-amino-1-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	465.21324	217.7
[M+Na]+	487.19518	227.5
[M-H]-	463.19868	226.0
[M+NH4]+	482.23978	224.0
[M+K]+	503.16912	223.6
[M+H-H2O]+	447.20322	206.5
[M+HCOO]-	509.20416	232.4
[M+CH3COO]-	523.21981	244.6
[M+Na-2H]-	485.18063	216.8
[M]+	464.20541	220.1
[M]-	464.20651	220.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.21324

217.7

[M+Na]+

487.19518

227.5

[M-H]-

463.19868

226.0

[M+NH4]+

482.23978

224.0

[M+K]+

503.16912

223.6

[M+H-H2O]+

447.20322

206.5

[M+HCOO]-

509.20416

232.4

[M+CH3COO]-

523.21981

244.6

[M+Na-2H]-

485.18063

216.8

[M]+

464.20541

220.1

[M]-

464.20651

220.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cx-659s

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe