CID 206997

Brn 1554998

Structural Information

Molecular Formula
C19H16N2O7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O7/c1-25-14-9-12(10-15(26-2)18(14)27-3)19(22)28-17-13(21(23)24)7-6-11-5-4-8-20-16(11)17/h4-10H,1-3H3
InChIKey
MTVQUUXMYNYRNA-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

384.09576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10304 185.1
[M+Na]+ 407.08498 200.1
[M+NH4]+ 402.12958 190.7
[M+K]+ 423.05892 196.9
[M-H]- 383.08848 189.2
[M+Na-2H]- 405.07043 191.5
[M]+ 384.09521 188.3
[M]- 384.09631 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

patents stripe