CID 11485656

Linifanib

Structural Information

Molecular Formula
C21H18FN5O
SMILES
CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)NN=C4N
InChI
InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
InChIKey
MPVGZUGXCQEXTM-UHFFFAOYSA-N
Compound name
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

91
References

9256
Patents

375.14954 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15682 186.5
[M+Na]+ 398.13876 195.1
[M-H]- 374.14226 193.0
[M+NH4]+ 393.18336 197.0
[M+K]+ 414.11270 187.1
[M+H-H2O]+ 358.14680 175.5
[M+HCOO]- 420.14774 208.4
[M+CH3COO]- 434.16339 195.9
[M+Na-2H]- 396.12421 190.0
[M]+ 375.14899 184.0
[M]- 375.15009 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