CID 3040595

Brn 1497752

Structural Information

Molecular Formula
C16H15NO5
SMILES
COC1=CC(=O)C2=C(C1=O)C(=C3N2CCC3)COC(=O)C=C
InChI
InChI=1S/C16H15NO5/c1-3-13(19)22-8-9-10-5-4-6-17(10)15-11(18)7-12(21-2)16(20)14(9)15/h3,7H,1,4-6,8H2,2H3
InChIKey
JCLMROXYBVTSAI-UHFFFAOYSA-N
Compound name
(6-methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09503 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10231 168.2
[M+Na]+ 324.08425 177.7
[M+NH4]+ 319.12885 174.2
[M+K]+ 340.05819 176.6
[M-H]- 300.08775 167.3
[M+Na-2H]- 322.06970 168.0
[M]+ 301.09448 168.8
[M]- 301.09558 168.8
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.