CID 165947535

2-{1-[(pyrimidin-4-yl)methyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C14H15N5
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=NC=NC=C3)CCN
InChI
InChI=1S/C14H15N5/c15-7-5-14-18-12-3-1-2-4-13(12)19(14)9-11-6-8-16-10-17-11/h1-4,6,8,10H,5,7,9,15H2
InChIKey
PHZNXRZAWWGGTF-UHFFFAOYSA-N
Compound name
2-[1-(pyrimidin-4-ylmethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13275 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14003 157.0
[M+Na]+ 276.12197 172.1
[M+NH4]+ 271.16657 164.6
[M+K]+ 292.09591 166.1
[M-H]- 252.12547 160.3
[M+Na-2H]- 274.10742 166.0
[M]+ 253.13220 160.0
[M]- 253.13330 160.0
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.