CID 168229397

N-nitroso trimetazidine

Structural Information

Molecular Formula
C14H21N3O4
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)N=O)OC)OC
InChI
InChI=1S/C14H21N3O4/c1-19-12-5-4-11(13(20-2)14(12)21-3)10-16-6-8-17(15-18)9-7-16/h4-5H,6-10H2,1-3H3
InChIKey
NFINNRJTHOYASP-UHFFFAOYSA-N
Compound name
1-nitroso-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1532 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 168.4
[M+Na]+ 318.14242 180.0
[M+NH4]+ 313.18702 174.4
[M+K]+ 334.11636 174.3
[M-H]- 294.14592 170.9
[M+Na-2H]- 316.12787 173.9
[M]+ 295.15265 170.5
[M]- 295.15375 170.5
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.