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]+ 176.11823 136.6
[M+Na]+ 198.10017 142.6
[M-H]- 174.10367 138.9
[M+NH4]+ 193.14477 154.4
[M+K]+ 214.07411 138.9
[M+H-H2O]+ 158.10821 128.2
[M+HCOO]- 220.10915 158.7
[M+CH3COO]- 234.12480 148.6
[M+Na-2H]- 196.08562 143.4
[M]+ 175.11040 132.1
[M]- 175.11150 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.