CID 11667893

Motesanib

Structural Information

Molecular Formula
C22H23N5O
SMILES
CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C
InChI
InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
InChIKey
RAHBGWKEPAQNFF-UHFFFAOYSA-N
Compound name
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

107
References

10864
Patents

373.19025 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.197526 188.7
[M+Na]+ 396.179468 194.9
[M-H]- 372.182974 194.2
[M+NH4]+ 391.224073 199.7
[M+K]+ 412.153408 187.7
[M+H-H2O]+ 356.187510 177.5
[M+HCOO]- 418.188451 206.8
[M+CH3COO]- 432.204101 197.0
[M+Na-2H]- 394.164916 193.2
[M]+ 373.18970142 186.1
[M]- 373.19079858 186.1
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