CID 3061783

2h-benzimidazol-2-one, 1,3-dihydro-1-(2-aminoethyl)-5-chloro-3-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)CCN
InChI
InChI=1S/C15H14ClN3O/c16-11-6-7-13-14(10-11)19(12-4-2-1-3-5-12)15(20)18(13)9-8-17/h1-7,10H,8-9,17H2
InChIKey
DBWNQKRMXRIWIG-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-5-chloro-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08255 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.089826 164.2
[M+Na]+ 310.071768 176.5
[M-H]- 286.075274 169.7
[M+NH4]+ 305.116373 180.9
[M+K]+ 326.045708 169.2
[M+H-H2O]+ 270.079810 156.0
[M+HCOO]- 332.080751 183.6
[M+CH3COO]- 346.096401 176.9
[M+Na-2H]- 308.057216 168.9
[M]+ 287.08200142 168.4
[M]- 287.08309858 168.4
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.