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 160.2
[M+Na]+ 299.10022 168.6
[M-H]- 275.10372 163.9
[M+NH4]+ 294.14482 179.8
[M+K]+ 315.07416 166.7
[M+H-H2O]+ 259.10826 154.4
[M+HCOO]- 321.10920 181.4
[M+CH3COO]- 335.12485 200.9
[M+Na-2H]- 297.08567 163.2
[M]+ 276.11045 163.6
[M]- 276.11155 163.6
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.