CID 3040594

Brn 1499132

Structural Information

Molecular Formula
C16H17NO5
SMILES
CCC(=O)OCC1=C2CCCN2C3=C1C(=O)C(=CC3=O)OC
InChI
InChI=1S/C16H17NO5/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/h7H,3-6,8H2,1-2H3
InChIKey
DFLBFCRRANEFKI-UHFFFAOYSA-N
Compound name
(6-methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1107 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11798 168.1
[M+Na]+ 326.09992 177.3
[M-H]- 302.10342 172.7
[M+NH4]+ 321.14452 187.8
[M+K]+ 342.07386 174.5
[M+H-H2O]+ 286.10796 162.8
[M+HCOO]- 348.10890 187.6
[M+CH3COO]- 362.12455 205.0
[M+Na-2H]- 324.08537 167.5
[M]+ 303.11015 173.5
[M]- 303.11125 173.5
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.