CID 9869053

Cx-659s

Structural Information

Molecular Formula
C25H28N4O5
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

compound 2d structure
2
Annotation Hits

11
References

51
Patents

464.20596 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21324 214.2
[M+Na]+ 487.19518 228.5
[M+NH4]+ 482.23978 219.5
[M+K]+ 503.16912 221.1
[M-H]- 463.19868 220.4
[M+Na-2H]- 485.18063 219.8
[M]+ 464.20541 218.0
[M]- 464.20651 218.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe