CID 208625

2-amino-1-hydroxy-7-methoxynitosene

Structural Information

Molecular Formula
C15H17N3O6
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)O)N)OC
InChI
InChI=1S/C15H17N3O6/c1-5-11(19)10-8(13(21)14(5)23-2)6(4-24-15(17)22)9-12(20)7(16)3-18(9)10/h7,12,20H,3-4,16H2,1-2H3,(H2,17,22)
InChIKey
YLUFIGVFCDSUBH-UHFFFAOYSA-N
Compound name
(2-amino-3-hydroxy-6-methoxy-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

1
References

0
Patents

335.11172 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11900 172.7
[M+Na]+ 358.10094 182.0
[M-H]- 334.10444 176.0
[M+NH4]+ 353.14554 189.7
[M+K]+ 374.07488 179.4
[M+H-H2O]+ 318.10898 167.9
[M+HCOO]- 380.10992 191.6
[M+CH3COO]- 394.12557 216.2
[M+Na-2H]- 356.08639 170.2
[M]+ 335.11117 175.3
[M]- 335.11227 175.3
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

No patent data available for this compound.