CID 4110662

Ethyl 7-methyl-1-(2-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate

Structural Information

Molecular Formula
C23H18N2O5
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=CC=C4[N+](=O)[O-])C=CC(=C3)C
InChI
InChI=1S/C23H18N2O5/c1-3-30-23(27)17-13-21(22(26)16-6-4-5-7-20(16)25(28)29)24-18-10-8-14(2)12-15(18)9-11-19(17)24/h4-13H,3H2,1-2H3
InChIKey
BFCVKOIBNPDHQK-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-1-(2-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.12158 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12886 195.4
[M+Na]+ 425.11080 202.5
[M-H]- 401.11430 203.4
[M+NH4]+ 420.15540 207.3
[M+K]+ 441.08474 194.0
[M+H-H2O]+ 385.11884 190.5
[M+HCOO]- 447.11978 216.2
[M+CH3COO]- 461.13543 219.3
[M+Na-2H]- 423.09625 199.1
[M]+ 402.12103 199.3
[M]- 402.12213 199.3
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