CID 42588

Indole-3-acetic acid, 1-((n-hydroxycarbamoyl)methyl)-5-methoxy-2-methyl-, tert-butyl ester

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CC1=C(C2=C(N1CC(=O)NO)C=CC(=C2)OC)CC(=O)OC(C)(C)C
InChI
InChI=1S/C18H24N2O5/c1-11-13(9-17(22)25-18(2,3)4)14-8-12(24-5)6-7-15(14)20(11)10-16(21)19-23/h6-8,23H,9-10H2,1-5H3,(H,19,21)
InChIKey
VGCCTCQNIABQBA-UHFFFAOYSA-N
Compound name
tert-butyl 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

348.16852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.175796 182.7
[M+Na]+ 371.157738 190.5
[M-H]- 347.161244 185.4
[M+NH4]+ 366.202343 197.1
[M+K]+ 387.131678 188.5
[M+H-H2O]+ 331.165780 176.2
[M+HCOO]- 393.166721 202.2
[M+CH3COO]- 407.182371 214.4
[M+Na-2H]- 369.143186 184.2
[M]+ 348.16797142 190.0
[M]- 348.16906858 190.0
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.