CID 746138

2-benzyl-1h-benzoimidazol-5-ylamine

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C14H13N3/c15-11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h1-7,9H,8,15H2,(H,16,17)
InChIKey
MQTBODNTRQAUSK-UHFFFAOYSA-N
Compound name
2-benzyl-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

55
Patents

223.11095 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 148.0
[M+Na]+ 246.10017 157.8
[M-H]- 222.10367 152.1
[M+NH4]+ 241.14477 165.4
[M+K]+ 262.07411 151.4
[M+H-H2O]+ 206.10821 139.9
[M+HCOO]- 268.10915 170.9
[M+CH3COO]- 282.12480 160.6
[M+Na-2H]- 244.08562 155.3
[M]+ 223.11040 146.6
[M]- 223.11150 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe