CID 5329098

Semaxanib

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=CC(=C(N1)/C=C\2/C3=CC=CC=C3NC2=O)C
InChI
InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
InChIKey
WUWDLXZGHZSWQZ-WQLSENKSSA-N
Compound name
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

541
References

23107
Patents

238.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 155.9
[M+Na]+ 261.09983 165.8
[M-H]- 237.10333 159.3
[M+NH4]+ 256.14443 174.8
[M+K]+ 277.07377 159.1
[M+H-H2O]+ 221.10787 149.3
[M+HCOO]- 283.10881 175.0
[M+CH3COO]- 297.12446 167.9
[M+Na-2H]- 259.08528 156.2
[M]+ 238.11006 153.4
[M]- 238.11116 153.4
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