CID 99749

73972-38-0

Structural Information

Molecular Formula
C19H12N2O4
SMILES
C1C(=C2C3=C(C14C5=CC=CC=C5NC4=O)C=CC=C3NC2=O)C(=O)O
InChI
InChI=1S/C19H12N2O4/c22-16-14-9(17(23)24)8-19(11-5-3-7-13(20-16)15(11)14)10-4-1-2-6-12(10)21-18(19)25/h1-7H,8H2,(H,20,22)(H,21,25)(H,23,24)
InChIKey
BMXOLQCTPIQVOD-UHFFFAOYSA-N
Compound name
2,2'-dioxospiro[1,4-dihydrobenzo[cd]indole-5,3'-1H-indole]-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

332.0797 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08698 175.3
[M+Na]+ 355.06892 185.1
[M-H]- 331.07242 177.8
[M+NH4]+ 350.11352 193.4
[M+K]+ 371.04286 177.7
[M+H-H2O]+ 315.07696 168.7
[M+HCOO]- 377.07790 187.4
[M+CH3COO]- 391.09355 185.1
[M+Na-2H]- 353.05437 177.1
[M]+ 332.07915 173.6
[M]- 332.08025 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.