CID 58540

101564-97-0

Structural Information

Molecular Formula
C13H12IN3
SMILES
C1CN=C(N1)NC2=CC=C(C3=CC=CC=C32)I
InChI
InChI=1S/C13H12IN3/c14-11-5-6-12(17-13-15-7-8-16-13)10-4-2-1-3-9(10)11/h1-6H,7-8H2,(H2,15,16,17)
InChIKey
GERFGXVGRGSGPX-UHFFFAOYSA-N
Compound name
N-(4-iodonaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0076 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01488 153.6
[M+Na]+ 359.99682 154.4
[M-H]- 336.00032 150.0
[M+NH4]+ 355.04142 165.9
[M+K]+ 375.97076 154.7
[M+H-H2O]+ 320.00486 141.8
[M+HCOO]- 382.00580 169.3
[M+CH3COO]- 396.02145 161.0
[M+Na-2H]- 357.98227 148.5
[M]+ 337.00705 147.4
[M]- 337.00815 147.4
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.