CID 4165805

302913-67-3

Structural Information

Molecular Formula
C27H21NO3
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C3)C
InChI
InChI=1S/C27H21NO3/c1-3-31-27(30)22-16-25(26(29)21-10-9-18-6-4-5-7-19(18)15-21)28-23-12-8-17(2)14-20(23)11-13-24(22)28/h4-16H,3H2,1-2H3
InChIKey
BGOBBSCFBNWUJE-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.15213 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15941 201.3
[M+Na]+ 430.14135 211.3
[M-H]- 406.14485 210.2
[M+NH4]+ 425.18595 215.0
[M+K]+ 446.11529 204.5
[M+H-H2O]+ 390.14939 191.1
[M+HCOO]- 452.15033 220.7
[M+CH3COO]- 466.16598 211.5
[M+Na-2H]- 428.12680 203.8
[M]+ 407.15158 207.8
[M]- 407.15268 207.8
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.