CID 168229397

92432-50-3

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 167.5
[M+Na]+ 318.14242 174.1
[M-H]- 294.14592 172.5
[M+NH4]+ 313.18702 180.6
[M+K]+ 334.11636 173.0
[M+H-H2O]+ 278.15046 157.6
[M+HCOO]- 340.15140 188.3
[M+CH3COO]- 354.16705 208.1
[M+Na-2H]- 316.12787 170.8
[M]+ 295.15265 171.0
[M]- 295.15375 171.0
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.