CID 45051072

70654-07-8

Structural Information

Molecular Formula
C27H18N2O7
SMILES
COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=CC5=CC=CC=C53
InChI
InChI=1S/C27H18N2O7/c1-35-26(31)22-21-14-12-19-18-6-4-3-5-15(18)9-13-20(19)28(21)24(23(22)27(32)36-2)25(30)16-7-10-17(11-8-16)29(33)34/h3-14H,1-2H3
InChIKey
XRIKSEVWUHPDQK-UHFFFAOYSA-N
Compound name
dimethyl 3-(4-nitrobenzoyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1114 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.11868 209.3
[M+Na]+ 505.10062 225.5
[M+NH4]+ 500.14522 215.0
[M+K]+ 521.07456 223.0
[M-H]- 481.10412 214.3
[M+Na-2H]- 503.08607 215.0
[M]+ 482.11085 213.0
[M]- 482.11195 213.0
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.