CID 63232762

6-bromo-3-(propan-2-yl)quinolin-2-amine

Structural Information

Molecular Formula
C12H13BrN2
SMILES
CC(C)C1=C(N=C2C=CC(=CC2=C1)Br)N
InChI
InChI=1S/C12H13BrN2/c1-7(2)10-6-8-5-9(13)3-4-11(8)15-12(10)14/h3-7H,1-2H3,(H2,14,15)
InChIKey
UBXFYPCFXCADEQ-UHFFFAOYSA-N
Compound name
6-bromo-3-propan-2-ylquinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0262 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03348 152.2
[M+Na]+ 287.01542 164.1
[M-H]- 263.01892 157.9
[M+NH4]+ 282.06002 172.2
[M+K]+ 302.98936 151.9
[M+H-H2O]+ 247.02346 151.2
[M+HCOO]- 309.02440 171.2
[M+CH3COO]- 323.04005 198.3
[M+Na-2H]- 285.00087 158.7
[M]+ 264.02565 169.8
[M]- 264.02675 169.8
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.