CID 5702811

(2e)-3-(4-oxo-1,2-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-5-yl)acrylic acid

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1CN2C3=C(C=CC=C31)C=C(C2=O)/C=C/C(=O)O
InChI
InChI=1S/C14H11NO3/c16-12(17)5-4-11-8-10-3-1-2-9-6-7-15(13(9)10)14(11)18/h1-5,8H,6-7H2,(H,16,17)/b5-4+
InChIKey
LCYDDSSZZRFPCM-SNAWJCMRSA-N
Compound name
(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.081176 151.4
[M+Na]+ 264.063118 161.0
[M-H]- 240.066624 154.0
[M+NH4]+ 259.107723 171.3
[M+K]+ 280.037058 156.2
[M+H-H2O]+ 224.071160 145.3
[M+HCOO]- 286.072101 170.7
[M+CH3COO]- 300.087751 190.5
[M+Na-2H]- 262.048566 156.3
[M]+ 241.07335142 153.2
[M]- 241.07444858 153.2
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.