CID 3072273

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

Structural Information

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

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.30641 205.1
[M+Na]+ 428.28835 205.1
[M-H]- 404.29185 206.4
[M+NH4]+ 423.33295 212.3
[M+K]+ 444.26229 201.6
[M+H-H2O]+ 388.29639 193.8
[M+HCOO]- 450.29733 219.2
[M+CH3COO]- 464.31298 228.1
[M+Na-2H]- 426.27380 202.3
[M]+ 405.29858 206.2
[M]- 405.29968 206.2
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.