CID 59282

102280-44-4

Structural Information

Molecular Formula
C13H11Br2N3
SMILES
C1CN=C(N1)NC2=C(C=C(C3=CC=CC=C32)Br)Br
InChI
InChI=1S/C13H11Br2N3/c14-10-7-11(15)12(18-13-16-5-6-17-13)9-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H2,16,17,18)
InChIKey
SIZJOATXXVGWLW-UHFFFAOYSA-N
Compound name
N-(2,4-dibromonaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.93198 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.93926 159.3
[M+Na]+ 389.92120 169.4
[M-H]- 365.92470 166.1
[M+NH4]+ 384.96580 175.7
[M+K]+ 405.89514 153.2
[M+H-H2O]+ 349.92924 166.4
[M+HCOO]- 411.93018 173.1
[M+CH3COO]- 425.94583 171.6
[M+Na-2H]- 387.90665 165.4
[M]+ 366.93143 190.7
[M]- 366.93253 190.7
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.