CID 53475700

Schembl2483536

Structural Information

Molecular Formula
C20H22ClN5O2
SMILES
C1CCN(CC1)C2=C(C=CC(=C2)Cl)CNC(=O)NC3=CC=CC4=C3NC(=O)N4
InChI
InChI=1S/C20H22ClN5O2/c21-14-8-7-13(17(11-14)26-9-2-1-3-10-26)12-22-19(27)23-15-5-4-6-16-18(15)25-20(28)24-16/h4-8,11H,1-3,9-10,12H2,(H2,22,23,27)(H2,24,25,28)
InChIKey
UDSQXLZVIWKXME-UHFFFAOYSA-N
Compound name
1-[(4-chloro-2-piperidin-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

399.1462 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15348 191.1
[M+Na]+ 422.13542 197.3
[M-H]- 398.13892 195.1
[M+NH4]+ 417.18002 199.4
[M+K]+ 438.10936 188.6
[M+H-H2O]+ 382.14346 180.8
[M+HCOO]- 444.14440 202.6
[M+CH3COO]- 458.16005 198.4
[M+Na-2H]- 420.12087 193.0
[M]+ 399.14565 187.8
[M]- 399.14675 187.8
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