CID 1952145

Dtxsid201138604

Structural Information

Molecular Formula
C20H23N5O3
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H23N5O3/c26-20(22-21-14-17-6-8-19(9-7-17)25(27)28)16-24-12-10-23(11-13-24)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,22,26)
InChIKey
MFRIKINHQUTHII-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18008 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18736 188.4
[M+Na]+ 404.16930 200.0
[M+NH4]+ 399.21390 194.0
[M+K]+ 420.14324 195.4
[M-H]- 380.17280 195.0
[M+Na-2H]- 402.15475 196.5
[M]+ 381.17953 191.4
[M]- 381.18063 191.4
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.