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 208.6
[M+Na]+ 452.23086 211.2
[M-H]- 428.23436 216.8
[M+NH4]+ 447.27546 213.9
[M+K]+ 468.20480 204.5
[M+H-H2O]+ 412.23890 195.0
[M+HCOO]- 474.23984 224.2
[M+CH3COO]- 488.25549 214.9
[M+Na-2H]- 450.21631 208.1
[M]+ 429.24109 205.3
[M]- 429.24219 205.3
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.