CID 453430

130292-77-2

Structural Information

Molecular Formula
C22H16Cl2N4O
SMILES
C1=CC(=CC=C1NC2=C3C=CC(=CC3=NC=C2)Cl)NC(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H16Cl2N4O/c23-14-1-4-17(5-2-14)27-22(29)28-18-8-6-16(7-9-18)26-20-11-12-25-21-13-15(24)3-10-19(20)21/h1-13H,(H,25,26)(H2,27,28,29)
InChIKey
IQXXLOCPVIVVRK-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.07013 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.07741 196.2
[M+Na]+ 445.05935 204.1
[M-H]- 421.06285 204.3
[M+NH4]+ 440.10395 206.0
[M+K]+ 461.03329 195.6
[M+H-H2O]+ 405.06739 186.4
[M+HCOO]- 467.06833 210.2
[M+CH3COO]- 481.08398 204.9
[M+Na-2H]- 443.04480 202.0
[M]+ 422.06958 198.6
[M]- 422.07068 198.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.