CID 1907775

355421-02-2

Structural Information

Molecular Formula
C20H17BrClNO2
SMILES
CC(C)COC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H17BrClNO2/c1-12(2)11-25-20(24)17-10-19(13-3-6-15(22)7-4-13)23-18-8-5-14(21)9-16(17)18/h3-10,12H,11H2,1-2H3
InChIKey
ALRYMGRMOWUYCP-UHFFFAOYSA-N
Compound name
2-methylpropyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.01312 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.02040 187.7
[M+Na]+ 440.00234 199.5
[M-H]- 416.00584 196.3
[M+NH4]+ 435.04694 202.7
[M+K]+ 455.97628 186.0
[M+H-H2O]+ 400.01038 186.0
[M+HCOO]- 462.01132 200.2
[M+CH3COO]- 476.02697 220.4
[M+Na-2H]- 437.98779 191.0
[M]+ 417.01257 210.9
[M]- 417.01367 210.9
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.