CID 59304

Carbanilic acid, 3,4,5-trimethoxy-, 3-(4-phenyl-1-piperazinyl)propyl ester, maleate

Structural Information

Molecular Formula
C23H31N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C23H31N3O5/c1-28-20-16-18(17-21(29-2)22(20)30-3)24-23(27)31-15-7-10-25-11-13-26(14-12-25)19-8-5-4-6-9-19/h4-6,8-9,16-17H,7,10-15H2,1-3H3,(H,24,27)
InChIKey
DMACUBIFOZOBFQ-UHFFFAOYSA-N
Compound name
3-(4-phenylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.22638 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.23366 204.6
[M+Na]+ 452.21560 207.3
[M-H]- 428.21910 210.2
[M+NH4]+ 447.26020 210.5
[M+K]+ 468.18954 204.3
[M+H-H2O]+ 412.22364 192.2
[M+HCOO]- 474.22458 221.2
[M+CH3COO]- 488.24023 230.1
[M+Na-2H]- 450.20105 204.3
[M]+ 429.22583 207.1
[M]- 429.22693 207.1
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

No patent data available for this compound.