CID 231529

5472-26-4

Structural Information

Molecular Formula
C20H15NO4
SMILES
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)O
InChI
InChI=1S/C20H15NO4/c22-14(23)9-21-19(24)17-15-10-5-1-2-6-11(10)16(18(17)20(21)25)13-8-4-3-7-12(13)15/h1-8,15-18H,9H2,(H,22,23)
InChIKey
OWTGLTJTLFMMFW-UHFFFAOYSA-N
Compound name
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10738 171.2
[M+Na]+ 356.08932 177.3
[M-H]- 332.09282 173.8
[M+NH4]+ 351.13392 189.3
[M+K]+ 372.06326 172.1
[M+H-H2O]+ 316.09736 163.0
[M+HCOO]- 378.09830 180.9
[M+CH3COO]- 392.11395 180.4
[M+Na-2H]- 354.07477 175.0
[M]+ 333.09955 173.6
[M]- 333.10065 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.