CID 3072267

Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(2-propyl-1-piperazinyl)ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C23H39N3O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)CCC
InChI
InChI=1S/C23H39N3O3/c1-3-5-6-7-10-19-28-22-12-9-8-11-21(22)24-23(27)29-20-18-26-16-14-25(13-4-2)15-17-26/h8-9,11-12H,3-7,10,13-20H2,1-2H3,(H,24,27)
InChIKey
DMIBYVPBBFHWGL-UHFFFAOYSA-N
Compound name
2-(4-propylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.29913 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.30641 204.7
[M+Na]+ 428.28835 204.9
[M-H]- 404.29185 205.9
[M+NH4]+ 423.33295 212.0
[M+K]+ 444.26229 200.9
[M+H-H2O]+ 388.29639 193.2
[M+HCOO]- 450.29733 219.8
[M+CH3COO]- 464.31298 227.2
[M+Na-2H]- 426.27380 203.1
[M]+ 405.29858 206.4
[M]- 405.29968 206.4
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.