CID 3061764

Brn 5579633

Structural Information

Molecular Formula
C15H13ClN2O2
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)CCO
InChI
InChI=1S/C15H13ClN2O2/c16-11-6-7-13-14(10-11)18(12-4-2-1-3-5-12)15(20)17(13)8-9-19/h1-7,10,19H,8-9H2
InChIKey
YTUYGNZBKWWBQS-UHFFFAOYSA-N
Compound name
5-chloro-1-(2-hydroxyethyl)-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06656 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.073836 162.6
[M+Na]+ 311.055778 175.2
[M-H]- 287.059284 167.3
[M+NH4]+ 306.100383 179.1
[M+K]+ 327.029718 168.0
[M+H-H2O]+ 271.063820 154.8
[M+HCOO]- 333.064761 180.3
[M+CH3COO]- 347.080411 175.3
[M+Na-2H]- 309.041226 167.4
[M]+ 288.06601142 167.9
[M]- 288.06710858 167.9
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.