CID 43470489

2-(1-phenyl-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H15N3
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C15H15N3/c16-11-10-15-17-13-8-4-5-9-14(13)18(15)12-6-2-1-3-7-12/h1-9H,10-11,16H2
InChIKey
PETWCZQLBMCMLO-UHFFFAOYSA-N
Compound name
2-(1-phenylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.1266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 152.7
[M+Na]+ 260.11582 162.4
[M-H]- 236.11932 157.8
[M+NH4]+ 255.16042 170.2
[M+K]+ 276.08976 156.6
[M+H-H2O]+ 220.12386 143.9
[M+HCOO]- 282.12480 176.6
[M+CH3COO]- 296.14045 165.4
[M+Na-2H]- 258.10127 159.7
[M]+ 237.12605 153.3
[M]- 237.12715 153.3
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

patents stripe