CID 42588

Brn 0449051

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]+ 349.17580 182.7
[M+Na]+ 371.15774 190.5
[M-H]- 347.16124 185.4
[M+NH4]+ 366.20234 197.1
[M+K]+ 387.13168 188.5
[M+H-H2O]+ 331.16578 176.2
[M+HCOO]- 393.16672 202.2
[M+CH3COO]- 407.18237 214.4
[M+Na-2H]- 369.14319 184.2
[M]+ 348.16797 190.0
[M]- 348.16907 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.