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]+ 408.159406 201.3
[M+Na]+ 430.141348 211.3
[M-H]- 406.144854 210.2
[M+NH4]+ 425.185953 215.0
[M+K]+ 446.115288 204.5
[M+H-H2O]+ 390.149390 191.1
[M+HCOO]- 452.150331 220.7
[M+CH3COO]- 466.165981 211.5
[M+Na-2H]- 428.126796 203.8
[M]+ 407.15158142 207.8
[M]- 407.15267858 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.