CID 563446

N-benzyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H13N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H2,15,16,17)
InChIKey
FXMPPQGQNSTUGE-UHFFFAOYSA-N
Compound name
N-benzyl-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

77
Patents

223.11095 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 146.8
[M+Na]+ 246.10017 155.6
[M-H]- 222.10367 150.8
[M+NH4]+ 241.14477 164.1
[M+K]+ 262.07411 149.5
[M+H-H2O]+ 206.10821 138.3
[M+HCOO]- 268.10915 170.2
[M+CH3COO]- 282.12480 159.2
[M+Na-2H]- 244.08562 155.8
[M]+ 223.11040 145.9
[M]- 223.11150 145.9
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