CID 198428

62497-62-5

Structural Information

Molecular Formula
C13H13N3O5
SMILES
COC1=C2C(=C3CCN(C3=C1O)C(=O)N)C=C(N2)C(=O)O
InChI
InChI=1S/C13H13N3O5/c1-21-11-8-6(4-7(15-8)12(18)19)5-2-3-16(13(14)20)9(5)10(11)17/h4,15,17H,2-3H2,1H3,(H2,14,20)(H,18,19)
InChIKey
TYNSUEXNGLNQSS-UHFFFAOYSA-N
Compound name
6-carbamoyl-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

1184
Patents

291.0855 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09278 163.3
[M+Na]+ 314.07472 171.3
[M+NH4]+ 309.11932 167.7
[M+K]+ 330.04866 173.4
[M-H]- 290.07822 160.9
[M+Na-2H]- 312.06017 162.4
[M]+ 291.08495 163.0
[M]- 291.08605 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe