CID 356484

Nsc612422

Structural Information

Molecular Formula
C18H17NO6
SMILES
CN1C2=CC=CC=C2C(C1=O)(C3=C4C(=CC(=C3OC)OC)OCO4)O
InChI
InChI=1S/C18H17NO6/c1-19-11-7-5-4-6-10(11)18(21,17(19)20)14-15(23-3)12(22-2)8-13-16(14)25-9-24-13/h4-8,21H,9H2,1-3H3
InChIKey
QDFZIRSAHZISLW-UHFFFAOYSA-N
Compound name
3-(5,6-dimethoxy-1,3-benzodioxol-4-yl)-3-hydroxy-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1056 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11288 174.7
[M+Na]+ 366.09482 185.7
[M-H]- 342.09832 183.5
[M+NH4]+ 361.13942 191.6
[M+K]+ 382.06876 184.6
[M+H-H2O]+ 326.10286 169.4
[M+HCOO]- 388.10380 192.4
[M+CH3COO]- 402.11945 187.4
[M+Na-2H]- 364.08027 177.6
[M]+ 343.10505 182.2
[M]- 343.10615 182.2
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.