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]+ 334.107376 171.2
[M+Na]+ 356.089318 177.3
[M-H]- 332.092824 173.8
[M+NH4]+ 351.133923 189.3
[M+K]+ 372.063258 172.1
[M+H-H2O]+ 316.097360 163.0
[M+HCOO]- 378.098301 180.9
[M+CH3COO]- 392.113951 180.4
[M+Na-2H]- 354.074766 175.0
[M]+ 333.09955142 173.6
[M]- 333.10064858 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.