CID 162641051

Mk-6884-11c

Structural Information

Molecular Formula
C25H25N5O
SMILES
CC1(CCCC1)CN2C=C(C=N2)C3=C(N=C(C=C3)C#N)C4=CC5=C(CN(C5=O)[11CH3])C=C4
InChI
InChI=1S/C25H25N5O/c1-25(9-3-4-10-25)16-30-15-19(13-27-30)21-8-7-20(12-26)28-23(21)17-5-6-18-14-29(2)24(31)22(18)11-17/h5-8,11,13,15H,3-4,9-10,14,16H2,1-2H3/i2-1
InChIKey
PREPVVXBTJBVOZ-JVVVGQRLSA-N
Compound name
5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6-(2-(111C)methyl-3-oxo-1H-isoindol-5-yl)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.21735 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22463 197.6
[M+Na]+ 433.20657 210.4
[M+NH4]+ 428.25117 202.3
[M+K]+ 449.18051 202.7
[M-H]- 409.21007 195.2
[M+Na-2H]- 431.19202 202.4
[M]+ 410.21680 198.1
[M]- 410.21790 198.1
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

No patent data available for this compound.