CID 23507600

1139453-98-7

Structural Information

Molecular Formula
C14H20N4O3
SMILES
CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H20N4O3/c1-15-7-9-17(10-8-15)11-14(19)16(2)12-3-5-13(6-4-12)18(20)21/h3-6H,7-11H2,1-2H3
InChIKey
LSQRHFSGOUDQDS-UHFFFAOYSA-N
Compound name
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

292.15353 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16081 164.9
[M+Na]+ 315.14275 175.9
[M+NH4]+ 310.18735 171.1
[M+K]+ 331.11669 173.6
[M-H]- 291.14625 168.8
[M+Na-2H]- 313.12820 170.5
[M]+ 292.15298 167.1
[M]- 292.15408 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe