CID 3009976

Dtxsid301216984

Structural Information

Molecular Formula
C16H17N3
SMILES
CNC(C1=CC=CC=C1)C2=NC3=CC=CC=C3N2C
InChI
InChI=1S/C16H17N3/c1-17-15(12-8-4-3-5-9-12)16-18-13-10-6-7-11-14(13)19(16)2/h3-11,15,17H,1-2H3
InChIKey
UEUMSJNKVDLRLY-UHFFFAOYSA-N
Compound name
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 157.5
[M+Na]+ 274.13146 166.3
[M-H]- 250.13496 163.0
[M+NH4]+ 269.17606 174.5
[M+K]+ 290.10540 161.2
[M+H-H2O]+ 234.13950 148.5
[M+HCOO]- 296.14044 180.6
[M+CH3COO]- 310.15609 169.9
[M+Na-2H]- 272.11691 163.8
[M]+ 251.14169 158.8
[M]- 251.14279 158.8
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.