PubChemLite - Milciclib (C25H32N8O)

Structural Information

Molecular Formula

SMILES

CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C

InChI

InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)

InChIKey

RXZMYLDMFYNEIM-UHFFFAOYSA-N

Compound name

N,1,4,4-tetramethyl-8-[4-(4-methylpiperazin-1-yl)anilino]-5H-pyrazolo[4,3-h]quinazoline-3-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]+	461.27718	214.3
[M+Na]+	483.25912	227.1
[M+NH4]+	478.30372	220.6
[M+K]+	499.23306	220.2
[M-H]-	459.26262	218.6
[M+Na-2H]-	481.24457	220.1
[M]+	460.26935	217.3
[M]-	460.27045	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.27718

214.3

[M+Na]+

483.25912

227.1

[M+NH4]+

478.30372

220.6

[M+K]+

499.23306

220.2

[M-H]-

459.26262

218.6

[M+Na-2H]-

481.24457

220.1

[M]+

460.26935

217.3

[M]-

460.27045

217.3

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

Milciclib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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