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 157.4
[M+Na]+ 276.12197 167.5
[M-H]- 252.12547 159.8
[M+NH4]+ 271.16657 171.3
[M+K]+ 292.09591 161.4
[M+H-H2O]+ 236.13001 147.0
[M+HCOO]- 298.13095 178.8
[M+CH3COO]- 312.14660 168.9
[M+Na-2H]- 274.10742 164.8
[M]+ 253.13220 158.6
[M]- 253.13330 158.6
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.