CID 6108427

Brn 5593505

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C/C(=N/O)/CC1(C2=CC=CC=C2N(C1=O)C)OC(=O)C
InChI
InChI=1S/C14H16N2O4/c1-9(15-19)8-14(20-10(2)17)11-6-4-5-7-12(11)16(3)13(14)18/h4-7,19H,8H2,1-3H3/b15-9-
InChIKey
SVZKUPLZNZOGFQ-DHDCSXOGSA-N
Compound name
[3-[(2Z)-2-hydroxyiminopropyl]-1-methyl-2-oxoindol-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.1
[M+Na]+ 299.10022 171.3
[M+NH4]+ 294.14482 169.2
[M+K]+ 315.07416 167.1
[M-H]- 275.10372 161.7
[M+Na-2H]- 297.08567 165.7
[M]+ 276.11045 163.0
[M]- 276.11155 163.0
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.