CID 204780

16908-80-8

Structural Information

Molecular Formula
C14H15N3O6
SMILES
CC1=C(C2=C(C(=C3N2CC(C3O)N)COC(=O)N)C(=O)C1=O)O
InChI
InChI=1S/C14H15N3O6/c1-4-10(18)9-7(13(21)11(4)19)5(3-23-14(16)22)8-12(20)6(15)2-17(8)9/h6,12,18,20H,2-3,15H2,1H3,(H2,16,22)
InChIKey
BAGCCCLTRUIOKH-UHFFFAOYSA-N
Compound name
(2-amino-3,8-dihydroxy-7-methyl-5,6-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0961 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10338 168.6
[M+Na]+ 344.08532 178.0
[M-H]- 320.08882 170.8
[M+NH4]+ 339.12992 185.5
[M+K]+ 360.05926 174.9
[M+H-H2O]+ 304.09336 164.3
[M+HCOO]- 366.09430 186.4
[M+CH3COO]- 380.10995 211.3
[M+Na-2H]- 342.07077 166.3
[M]+ 321.09555 169.2
[M]- 321.09665 169.2
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.