CID 3084422

Phenamazoline

Structural Information

Molecular Formula
C10H13N3
SMILES
C1CN=C(N1)CNC2=CC=CC=C2
InChI
InChI=1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12)
InChIKey
FPZTYKLEJPXTKD-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

156
Patents

175.11095 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 136.6
[M+Na]+ 198.100168 142.6
[M-H]- 174.103674 138.9
[M+NH4]+ 193.144773 154.4
[M+K]+ 214.074108 138.9
[M+H-H2O]+ 158.108210 128.2
[M+HCOO]- 220.109151 158.7
[M+CH3COO]- 234.124801 148.6
[M+Na-2H]- 196.085616 143.4
[M]+ 175.11040142 132.1
[M]- 175.11149858 132.1
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.