CID 173894

63094-36-0

Structural Information

Molecular Formula
C14H10N2O4
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)O
InChI
InChI=1S/C14H10N2O4/c1-20-9-3-4-11-10(6-9)13(17)16-7-8(14(18)19)2-5-12(16)15-11/h2-7H,1H3,(H,18,19)
InChIKey
PNVRFQIVLRDFMU-UHFFFAOYSA-N
Compound name
2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

270.06406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.071336 156.3
[M+Na]+ 293.053278 168.2
[M-H]- 269.056784 159.0
[M+NH4]+ 288.097883 171.6
[M+K]+ 309.027218 164.0
[M+H-H2O]+ 253.061320 148.0
[M+HCOO]- 315.062261 176.0
[M+CH3COO]- 329.077911 196.8
[M+Na-2H]- 291.038726 164.8
[M]+ 270.06351142 161.2
[M]- 270.06460858 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe