CID 3047060

62874-94-6

Structural Information

Molecular Formula
C14H14N2O5
SMILES
CC(=O)N1CCC2=C3C=C(NC3=C(C(=C21)O)OC)C(=O)O
InChI
InChI=1S/C14H14N2O5/c1-6(17)16-4-3-7-8-5-9(14(19)20)15-10(8)13(21-2)12(18)11(7)16/h5,15,18H,3-4H2,1-2H3,(H,19,20)
InChIKey
QAXDVKBGZRMSHF-UHFFFAOYSA-N
Compound name
6-acetyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
Patents

290.09027 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 164.4
[M+Na]+ 313.07949 173.8
[M+NH4]+ 308.12409 169.3
[M+K]+ 329.05343 174.9
[M-H]- 289.08299 161.9
[M+Na-2H]- 311.06494 163.9
[M]+ 290.08972 164.5
[M]- 290.09082 164.5
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

patents stripe