CID 11554659

Pdgf rtk inhibitor

Structural Information

Molecular Formula
C26H23N3O4S
SMILES
CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC
InChI
InChI=1S/C26H23N3O4S/c1-16-6-4-5-7-19(16)25(30)29-26(34)28-17-8-10-18(11-9-17)33-22-12-13-27-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,28,29,30,34)
InChIKey
ZXGIBSBJQLLUEE-UHFFFAOYSA-N
Compound name
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

30
Patents

473.14093 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.14821 212.8
[M+Na]+ 496.13015 218.5
[M-H]- 472.13365 221.6
[M+NH4]+ 491.17475 219.6
[M+K]+ 512.10409 213.0
[M+H-H2O]+ 456.13819 201.5
[M+HCOO]- 518.13913 228.5
[M+CH3COO]- 532.15478 240.3
[M+Na-2H]- 494.11560 214.5
[M]+ 473.14038 217.9
[M]- 473.14148 217.9
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