CID 308410

Nsc209928

Structural Information

Molecular Formula
C21H14BrNO3
SMILES
COC1=C(C=C(C=C1)C2=NC3=CC4=CC=CC=C4C=C3C(=C2)C(=O)O)Br
InChI
InChI=1S/C21H14BrNO3/c1-26-20-7-6-14(9-17(20)22)18-11-16(21(24)25)15-8-12-4-2-3-5-13(12)10-19(15)23-18/h2-11H,1H3,(H,24,25)
InChIKey
IZHJKSCRFGLQFJ-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-methoxyphenyl)benzo[g]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.01572 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.02300 188.3
[M+Na]+ 430.00494 200.4
[M-H]- 406.00844 197.0
[M+NH4]+ 425.04954 202.6
[M+K]+ 445.97888 188.1
[M+H-H2O]+ 390.01298 185.5
[M+HCOO]- 452.01392 205.0
[M+CH3COO]- 466.02957 200.3
[M+Na-2H]- 427.99039 194.6
[M]+ 407.01517 209.8
[M]- 407.01627 209.8
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.