CID 59279

102280-42-2

Structural Information

Molecular Formula
C13H12BrN3
SMILES
C1CN=C(N1)NC2=CC=C(C3=CC=CC=C32)Br
InChI
InChI=1S/C13H12BrN3/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
BNBWHLLLQOAKDN-UHFFFAOYSA-N
Compound name
N-(4-bromonaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.02145 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.028726 157.7
[M+Na]+ 312.010668 168.5
[M-H]- 288.014174 164.0
[M+NH4]+ 307.055273 176.2
[M+K]+ 327.984608 155.4
[M+H-H2O]+ 272.018710 156.0
[M+HCOO]- 334.019651 176.3
[M+CH3COO]- 348.035301 170.8
[M+Na-2H]- 309.996116 165.0
[M]+ 289.02090142 172.7
[M]- 289.02199858 172.7
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.