CID 379736

Nsc664710

Structural Information

Molecular Formula
C23H17NO6
SMILES
CC1=CC(=C2C(=O)C=CC(=O)C2=C1)C3=C(C(=C4N3C=CC=C4)C(=O)OC)C(=O)OC
InChI
InChI=1S/C23H17NO6/c1-12-10-13-16(25)7-8-17(26)18(13)14(11-12)21-20(23(28)30-3)19(22(27)29-2)15-6-4-5-9-24(15)21/h4-11H,1-3H3
InChIKey
WKBNZQQBIIYDKB-UHFFFAOYSA-N
Compound name
dimethyl 3-(3-methyl-5,8-dioxonaphthalen-1-yl)indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1056 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.11288 192.5
[M+Na]+ 426.09482 203.1
[M-H]- 402.09832 201.2
[M+NH4]+ 421.13942 205.9
[M+K]+ 442.06876 199.2
[M+H-H2O]+ 386.10286 184.0
[M+HCOO]- 448.10380 212.0
[M+CH3COO]- 462.11945 225.7
[M+Na-2H]- 424.08027 192.3
[M]+ 403.10505 200.3
[M]- 403.10615 200.3
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.