CID 53475699

Schembl2483083

Structural Information

Molecular Formula
C19H20ClN5O2
SMILES
C1CCN(C1)C2=C(C=CC(=C2)Cl)CNC(=O)NC3=CC=CC4=C3NC(=O)N4
InChI
InChI=1S/C19H20ClN5O2/c20-13-7-6-12(16(10-13)25-8-1-2-9-25)11-21-18(26)22-14-4-3-5-15-17(14)24-19(27)23-15/h3-7,10H,1-2,8-9,11H2,(H2,21,22,26)(H2,23,24,27)
InChIKey
HZDOWKSLUNQEPU-UHFFFAOYSA-N
Compound name
1-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]-3-(2-oxo-1,3-dihydrobenzimidazol-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

385.13055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13783 187.3
[M+Na]+ 408.11977 194.7
[M-H]- 384.12327 192.5
[M+NH4]+ 403.16437 198.2
[M+K]+ 424.09371 186.6
[M+H-H2O]+ 368.12781 178.0
[M+HCOO]- 430.12875 201.6
[M+CH3COO]- 444.14440 195.9
[M+Na-2H]- 406.10522 187.8
[M]+ 385.13000 186.0
[M]- 385.13110 186.0
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

patents stripe