CID 135525556

3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile

Structural Information

Molecular Formula
C23H24N6
SMILES
C1CN(CCC1CN)CC2=CC3=C(C=C2)NC(=C3)C4=NNC5=C4C=CC(=C5)C#N
InChI
InChI=1S/C23H24N6/c24-12-15-5-7-29(8-6-15)14-17-2-4-20-18(9-17)11-22(26-20)23-19-3-1-16(13-25)10-21(19)27-28-23/h1-4,9-11,15,26H,5-8,12,14,24H2,(H,27,28)
InChIKey
WBKUBPBCFYCSRT-UHFFFAOYSA-N
Compound name
3-[5-[[4-(aminomethyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

384.20624 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21352 193.1
[M+Na]+ 407.19546 203.1
[M-H]- 383.19896 194.0
[M+NH4]+ 402.24006 201.1
[M+K]+ 423.16940 190.1
[M+H-H2O]+ 367.20350 175.5
[M+HCOO]- 429.20444 203.7
[M+CH3COO]- 443.22009 198.8
[M+Na-2H]- 405.18091 191.9
[M]+ 384.20569 184.0
[M]- 384.20679 184.0
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