CID 5938560

Nsc663662

Structural Information

Molecular Formula
C19H15NO6
SMILES
CC1=C2C(C3C(C1)C(=O)OC3=O)N(C4=CC=CC=C42)C(=O)/C=C/C(=O)O
InChI
InChI=1S/C19H15NO6/c1-9-8-11-16(19(25)26-18(11)24)17-15(9)10-4-2-3-5-12(10)20(17)13(21)6-7-14(22)23/h2-7,11,16-17H,8H2,1H3,(H,22,23)/b7-6+
InChIKey
FJSQBCXGDFKBPB-VOTSOKGWSA-N
Compound name
(E)-4-(5-methyl-1,3-dioxo-3a,4,10a,10b-tetrahydrofuro[3,4-a]carbazol-10-yl)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08994 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09722 178.9
[M+Na]+ 376.07916 187.5
[M-H]- 352.08266 183.7
[M+NH4]+ 371.12376 195.2
[M+K]+ 392.05310 183.9
[M+H-H2O]+ 336.08720 174.3
[M+HCOO]- 398.08814 192.5
[M+CH3COO]- 412.10379 213.0
[M+Na-2H]- 374.06461 177.1
[M]+ 353.08939 181.3
[M]- 353.09049 181.3
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.