CID 22013745

1-n-[3-(1h-imidazol-1-yl)propyl]benzene-1,2-diamine

Structural Information

Molecular Formula
C12H16N4
SMILES
C1=CC=C(C(=C1)N)NCCCN2C=CN=C2
InChI
InChI=1S/C12H16N4/c13-11-4-1-2-5-12(11)15-6-3-8-16-9-7-14-10-16/h1-2,4-5,7,9-10,15H,3,6,8,13H2
InChIKey
KJCGISCAQCJRLA-UHFFFAOYSA-N
Compound name
2-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

216.1375 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 149.2
[M+Na]+ 239.12672 160.5
[M+NH4]+ 234.17132 156.9
[M+K]+ 255.10066 155.4
[M-H]- 215.13022 153.0
[M+Na-2H]- 237.11217 157.3
[M]+ 216.13695 151.6
[M]- 216.13805 151.6
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

patents stripe