CID 121343

1101-58-2

Structural Information

Molecular Formula
C16H18N4O6
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)O)NC(=O)C)N
InChI
InChI=1S/C16H18N4O6/c1-5-10(17)15(24)9-7(4-26-16(18)25)11-14(23)8(19-6(2)21)3-20(11)12(9)13(5)22/h8,14,23H,3-4,17H2,1-2H3,(H2,18,25)(H,19,21)
InChIKey
HFJJKGOJLPDATE-UHFFFAOYSA-N
Compound name
(2-acetamido-6-amino-3-hydroxy-7-methyl-5,8-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

362.12262 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12990 179.3
[M+Na]+ 385.11184 187.2
[M-H]- 361.11534 182.6
[M+NH4]+ 380.15644 194.7
[M+K]+ 401.08578 184.8
[M+H-H2O]+ 345.11988 174.3
[M+HCOO]- 407.12082 198.1
[M+CH3COO]- 421.13647 224.6
[M+Na-2H]- 383.09729 176.1
[M]+ 362.12207 180.2
[M]- 362.12317 180.2
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.