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]+ 242.08118 151.4
[M+Na]+ 264.06312 161.0
[M-H]- 240.06662 154.0
[M+NH4]+ 259.10772 171.3
[M+K]+ 280.03706 156.2
[M+H-H2O]+ 224.07116 145.3
[M+HCOO]- 286.07210 170.7
[M+CH3COO]- 300.08775 190.5
[M+Na-2H]- 262.04857 156.3
[M]+ 241.07335 153.2
[M]- 241.07445 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.