CID 9968957

N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indole-5-carboxamide

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CC(C)(CO)NC(=O)C1=CC2=C(C=C1)N(C=C2C3=CC4=C(N3)N=CC=C4)C
InChI
InChI=1S/C21H22N4O2/c1-21(2,12-26)24-20(27)14-6-7-18-15(9-14)16(11-25(18)3)17-10-13-5-4-8-22-19(13)23-17/h4-11,26H,12H2,1-3H3,(H,22,23)(H,24,27)
InChIKey
XZRYCTLOGNCQDG-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

362.1743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 188.5
[M+Na]+ 385.16352 198.1
[M-H]- 361.16702 192.6
[M+NH4]+ 380.20812 201.5
[M+K]+ 401.13746 191.5
[M+H-H2O]+ 345.17156 180.5
[M+HCOO]- 407.17250 206.3
[M+CH3COO]- 421.18815 198.4
[M+Na-2H]- 383.14897 191.9
[M]+ 362.17375 191.9
[M]- 362.17485 191.9
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