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 213.0
[M+Na]+ 505.10062 219.4
[M-H]- 481.10412 221.9
[M+NH4]+ 500.14522 221.6
[M+K]+ 521.07456 211.9
[M+H-H2O]+ 465.10866 206.8
[M+HCOO]- 527.10960 232.0
[M+CH3COO]- 541.12525 233.7
[M+Na-2H]- 503.08607 217.1
[M]+ 482.11085 219.4
[M]- 482.11195 219.4
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.