CID 3620549

618069-73-1

Structural Information

Molecular Formula
C26H18N2O5
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC5=CC=CC=C53
InChI
InChI=1S/C26H18N2O5/c1-2-33-26(30)21-15-24(25(29)17-7-5-8-18(14-17)28(31)32)27-22-12-10-16-6-3-4-9-19(16)20(22)11-13-23(21)27/h3-15H,2H2,1H3
InChIKey
SRNYQEQVPHKTEG-UHFFFAOYSA-N
Compound name
ethyl 3-(3-nitrobenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.12158 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.12886 204.4
[M+Na]+ 461.11080 211.4
[M-H]- 437.11430 213.2
[M+NH4]+ 456.15540 215.1
[M+K]+ 477.08474 202.1
[M+H-H2O]+ 421.11884 198.2
[M+HCOO]- 483.11978 224.6
[M+CH3COO]- 497.13543 226.0
[M+Na-2H]- 459.09625 209.9
[M]+ 438.12103 208.9
[M]- 438.12213 208.9
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.