CID 3050162

Compound 769-829

Structural Information

Molecular Formula
C19H23N5O3
SMILES
C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C19H23N5O3/c20-19(25)17-14-16(24(26)27)6-7-18(17)21-8-9-22-10-12-23(13-11-22)15-4-2-1-3-5-15/h1-7,14,21H,8-13H2,(H2,20,25)
InChIKey
ACZOLIMRFNQFFA-UHFFFAOYSA-N
Compound name
5-nitro-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

369.18008 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18736 185.0
[M+Na]+ 392.16930 196.4
[M+NH4]+ 387.21390 190.6
[M+K]+ 408.14324 192.8
[M-H]- 368.17280 191.4
[M+Na-2H]- 390.15475 192.2
[M]+ 369.17953 187.9
[M]- 369.18063 187.9
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

patents stripe