CID 3057386

74037-87-9

Structural Information

Molecular Formula
C27H31N3O2
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCCN3CCN(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C27H31N3O2/c1-21-9-8-14-25(22(21)2)28-26-13-7-6-12-24(26)27(31)32-20-19-29-15-17-30(18-16-29)23-10-4-3-5-11-23/h3-14,28H,15-20H2,1-2H3
InChIKey
FDURIJOBZOCCNC-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)ethyl 2-(2,3-dimethylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.24164 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.24892 210.2
[M+Na]+ 452.23086 225.0
[M+NH4]+ 447.27546 217.0
[M+K]+ 468.20480 215.3
[M-H]- 428.23436 218.3
[M+Na-2H]- 450.21631 220.4
[M]+ 429.24109 214.6
[M]- 429.24219 214.6
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

No patent data available for this compound.