CID 155820971

N-methyl-n-(4-nitrophenyl)-2-(4-nitrosopiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C13H17N5O4
SMILES
CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CCN(CC2)N=O
InChI
InChI=1S/C13H17N5O4/c1-15(11-2-4-12(5-3-11)18(21)22)13(19)10-16-6-8-17(14-20)9-7-16/h2-5H,6-10H2,1H3
InChIKey
BXTDJRYUGBIVDM-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-nitrophenyl)-2-(4-nitrosopiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12805 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13533 166.0
[M+Na]+ 330.11727 168.9
[M-H]- 306.12077 171.9
[M+NH4]+ 325.16187 177.0
[M+K]+ 346.09121 164.5
[M+H-H2O]+ 290.12531 160.2
[M+HCOO]- 352.12625 188.6
[M+CH3COO]- 366.14190 207.4
[M+Na-2H]- 328.10272 172.0
[M]+ 307.12750 163.1
[M]- 307.12860 163.1
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.