CID 135422192

Nsc 64609

Structural Information

Molecular Formula
C13H20N3O3
SMILES
C[N+](C)(C)CC(=O)N/N=C/C1=C(C(=CC=C1)OC)O
InChI
InChI=1S/C13H19N3O3/c1-16(2,3)9-12(17)15-14-8-10-6-5-7-11(19-4)13(10)18/h5-8H,9H2,1-4H3,(H-,14,15,17,18)/p+1
InChIKey
YDDUDDCXLBOZBM-UHFFFAOYSA-O
Compound name
[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15773 157.8
[M+Na]+ 289.13967 163.6
[M-H]- 265.14317 163.2
[M+NH4]+ 284.18427 174.4
[M+K]+ 305.11361 157.2
[M+H-H2O]+ 249.14771 153.6
[M+HCOO]- 311.14865 183.6
[M+CH3COO]- 325.16430 200.1
[M+Na-2H]- 287.12512 166.2
[M]+ 266.14990 159.3
[M]- 266.15100 159.3
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.