CID 45051075

853317-56-3

Structural Information

Molecular Formula
C23H18N2O6
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=CC=C4[N+](=O)[O-])C=CC(=C3)OC
InChI
InChI=1S/C23H18N2O6/c1-3-31-23(27)17-13-21(22(26)16-6-4-5-7-20(16)25(28)29)24-18-11-9-15(30-2)12-14(18)8-10-19(17)24/h4-13H,3H2,1-2H3
InChIKey
GDOOIVAEDCHSJH-UHFFFAOYSA-N
Compound name
ethyl 7-methoxy-1-(2-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1165 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12378 198.1
[M+Na]+ 441.10572 204.8
[M-H]- 417.10922 206.0
[M+NH4]+ 436.15032 209.1
[M+K]+ 457.07966 197.1
[M+H-H2O]+ 401.11376 193.0
[M+HCOO]- 463.11470 218.9
[M+CH3COO]- 477.13035 221.4
[M+Na-2H]- 439.09117 202.1
[M]+ 418.11595 203.2
[M]- 418.11705 203.2
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.