CID 206970

Salicylic acid, 7-nitro-8-quinolyl ester

Structural Information

Molecular Formula
C16H10N2O5
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H10N2O5/c19-13-6-2-1-5-11(13)16(20)23-15-12(18(21)22)8-7-10-4-3-9-17-14(10)15/h1-9,19H
InChIKey
KZIKYUWMIPWNGR-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.05896 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06624 165.8
[M+Na]+ 333.04818 172.6
[M-H]- 309.05168 171.2
[M+NH4]+ 328.09278 177.9
[M+K]+ 349.02212 164.9
[M+H-H2O]+ 293.05622 161.3
[M+HCOO]- 355.05716 187.0
[M+CH3COO]- 369.07281 196.3
[M+Na-2H]- 331.03363 174.0
[M]+ 310.05841 165.5
[M]- 310.05951 165.5
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

patents stripe