CID 3050166

Compound 791-935

Structural Information

Molecular Formula
C21H28N4O2
SMILES
CCOC1=CC(=C(C=C1)NCCN2CCN(CC2)C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C21H28N4O2/c1-2-27-18-8-9-20(19(16-18)21(22)26)23-10-11-24-12-14-25(15-13-24)17-6-4-3-5-7-17/h3-9,16,23H,2,10-15H2,1H3,(H2,22,26)
InChIKey
XOGWWYLTTORPGT-UHFFFAOYSA-N
Compound name
5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.22122 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 190.3
[M+Na]+ 391.21044 192.7
[M-H]- 367.21394 195.3
[M+NH4]+ 386.25504 198.0
[M+K]+ 407.18438 187.5
[M+H-H2O]+ 351.21848 178.5
[M+HCOO]- 413.21942 207.5
[M+CH3COO]- 427.23507 222.4
[M+Na-2H]- 389.19589 191.1
[M]+ 368.22067 186.1
[M]- 368.22177 186.1
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

patents stripe