CID 102004291

Gumelutamide

Structural Information

Molecular Formula
C22H21ClN6O
SMILES
CC(C)(C1=CN=C(C=C1)NC2=NC=NC3=C2CCN(C3)C4=CC(=C(C=C4)C#N)Cl)O
InChI
InChI=1S/C22H21ClN6O/c1-22(2,30)15-4-6-20(25-11-15)28-21-17-7-8-29(12-19(17)26-13-27-21)16-5-3-14(10-24)18(23)9-16/h3-6,9,11,13,30H,7-8,12H2,1-2H3,(H,25,26,27,28)
InChIKey
TYOPGJVWUJIKHX-UHFFFAOYSA-N
Compound name
2-chloro-4-[4-[[5-(2-hydroxypropan-2-yl)pyridin-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

420.14655 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15383 206.2
[M+Na]+ 443.13577 220.9
[M+NH4]+ 438.18037 209.1
[M+K]+ 459.10971 209.4
[M-H]- 419.13927 203.3
[M+Na-2H]- 441.12122 211.0
[M]+ 420.14600 207.0
[M]- 420.14710 207.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe