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]+ 370.187356 184.2
[M+Na]+ 392.169298 185.5
[M-H]- 368.172804 189.6
[M+NH4]+ 387.213903 190.8
[M+K]+ 408.143238 176.6
[M+H-H2O]+ 352.177340 177.1
[M+HCOO]- 414.178281 202.9
[M+CH3COO]- 428.193931 215.6
[M+Na-2H]- 390.154746 188.4
[M]+ 369.17953142 176.6
[M]- 369.18062858 176.6
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