CID 9801743

224585-45-9

Structural Information

Molecular Formula
C18H16Cl2N4O
SMILES
C1=CC(=CC=C1CC2=CN=CN2)CNC(=O)NC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
InChIKey
CXNCQFJNXQAFND-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)-3-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

19
Patents

374.07013 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07741 186.9
[M+Na]+ 397.05935 201.0
[M+NH4]+ 392.10395 194.0
[M+K]+ 413.03329 193.9
[M-H]- 373.06285 192.0
[M+Na-2H]- 395.04480 195.7
[M]+ 374.06958 190.8
[M]- 374.07068 190.8
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