CID 54288

78812-07-4

Structural Information

Molecular Formula
C17H14BrN3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)Br)C(=NC3=CC=CC=C3)N
InChI
InChI=1S/C17H14BrN3/c1-11-9-15(14-10-12(18)7-8-16(14)20-11)17(19)21-13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,21)
InChIKey
RSQHKLQMKOVVIT-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-N'-phenylquinoline-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0371 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.04438 171.2
[M+Na]+ 362.02632 181.6
[M-H]- 338.02982 180.5
[M+NH4]+ 357.07092 187.8
[M+K]+ 378.00026 168.5
[M+H-H2O]+ 322.03436 168.1
[M+HCOO]- 384.03530 192.3
[M+CH3COO]- 398.05095 184.1
[M+Na-2H]- 360.01177 178.3
[M]+ 339.03655 188.3
[M]- 339.03765 188.3
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.