CID 3044913

Brn 0445980

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CC1=C(C2=C(N1CC(=O)NO)C=CC(=C2)OC)CC(=O)OC
InChI
InChI=1S/C15H18N2O5/c1-9-11(7-15(19)22-3)12-6-10(21-2)4-5-13(12)17(9)8-14(18)16-20/h4-6,20H,7-8H2,1-3H3,(H,16,18)
InChIKey
UXTMTJXKVCLNFW-UHFFFAOYSA-N
Compound name
methyl 2-[1-[2-(hydroxyamino)-2-oxoethyl]-5-methoxy-2-methylindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12158 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.128856 168.2
[M+Na]+ 329.110798 177.0
[M-H]- 305.114304 171.1
[M+NH4]+ 324.155403 184.2
[M+K]+ 345.084738 174.8
[M+H-H2O]+ 289.118840 161.3
[M+HCOO]- 351.119781 190.3
[M+CH3COO]- 365.135431 205.7
[M+Na-2H]- 327.096246 170.0
[M]+ 306.12103142 175.0
[M]- 306.12212858 175.0
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.