CID 16227663

2-(1-methyl-1h-1,3-benzodiazol-2-yl)-1-phenylethan-1-amine

Structural Information

Molecular Formula
C16H17N3
SMILES
CN1C2=CC=CC=C2N=C1CC(C3=CC=CC=C3)N
InChI
InChI=1S/C16H17N3/c1-19-15-10-6-5-9-14(15)18-16(19)11-13(17)12-7-3-2-4-8-12/h2-10,13H,11,17H2,1H3
InChIKey
NTGWKDIUBUPPQE-UHFFFAOYSA-N
Compound name
2-(1-methylbenzimidazol-2-yl)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 158.0
[M+Na]+ 274.131458 166.9
[M-H]- 250.134964 163.0
[M+NH4]+ 269.176063 174.8
[M+K]+ 290.105398 161.3
[M+H-H2O]+ 234.139500 149.1
[M+HCOO]- 296.140441 180.5
[M+CH3COO]- 310.156091 170.1
[M+Na-2H]- 272.116906 163.2
[M]+ 251.14169142 158.3
[M]- 251.14278858 158.3
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

No patent data available for this compound.