CID 70094374

1369032-56-3

Structural Information

Molecular Formula
C14H13N3O
SMILES
C1=CC=C2C(=C1)NC(=O)N2C3=CC=C(C=C3)CN
InChI
InChI=1S/C14H13N3O/c15-9-10-5-7-11(8-6-10)17-13-4-2-1-3-12(13)16-14(17)18/h1-8H,9,15H2,(H,16,18)
InChIKey
IXCCWLLJEJGINF-UHFFFAOYSA-N
Compound name
3-[4-(aminomethyl)phenyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.10587 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 151.6
[M+Na]+ 262.09509 162.4
[M-H]- 238.09859 156.1
[M+NH4]+ 257.13969 168.5
[M+K]+ 278.06903 156.0
[M+H-H2O]+ 222.10313 143.5
[M+HCOO]- 284.10407 174.8
[M+CH3COO]- 298.11972 164.3
[M+Na-2H]- 260.08054 158.0
[M]+ 239.10532 151.3
[M]- 239.10642 151.3
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