CID 59277

102280-41-1

Structural Information

Molecular Formula
C13H12BrN3
SMILES
C1CN=C(N1)NC2=C(C=CC3=CC=CC=C32)Br
InChI
InChI=1S/C13H12BrN3/c14-11-6-5-9-3-1-2-4-10(9)12(11)17-13-15-7-8-16-13/h1-6H,7-8H2,(H2,15,16,17)
InChIKey
INMQBAZJLXFJQN-UHFFFAOYSA-N
Compound name
N-(2-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]+ 290.02873 157.7
[M+Na]+ 312.01067 168.5
[M-H]- 288.01417 164.0
[M+NH4]+ 307.05527 176.2
[M+K]+ 327.98461 155.4
[M+H-H2O]+ 272.01871 156.0
[M+HCOO]- 334.01965 176.3
[M+CH3COO]- 348.03530 170.8
[M+Na-2H]- 309.99612 165.0
[M]+ 289.02090 172.7
[M]- 289.02200 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.