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]+ 252.14952 157.9
[M+Na]+ 274.13146 172.8
[M+NH4]+ 269.17606 166.9
[M+K]+ 290.10540 166.5
[M-H]- 250.13496 162.7
[M+Na-2H]- 272.11691 167.1
[M]+ 251.14169 161.5
[M]- 251.14279 161.5
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.