CID 3045143

2-thiazolecarboxamide, 5-butyl-n-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H34N4O2S
SMILES
CCCCC1=CN=C(S1)C(=O)NCCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C23H34N4O2S/c1-3-4-9-19-18-25-23(30-19)22(28)24-12-7-8-13-26-14-16-27(17-15-26)20-10-5-6-11-21(20)29-2/h5-6,10-11,18H,3-4,7-9,12-17H2,1-2H3,(H,24,28)
InChIKey
KDCPWNDQDQCKOJ-UHFFFAOYSA-N
Compound name
5-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.24023 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24751 205.2
[M+Na]+ 453.22945 208.1
[M-H]- 429.23295 209.5
[M+NH4]+ 448.27405 212.7
[M+K]+ 469.20339 202.1
[M+H-H2O]+ 413.23749 194.2
[M+HCOO]- 475.23843 216.3
[M+CH3COO]- 489.25408 228.7
[M+Na-2H]- 451.21490 200.6
[M]+ 430.23968 207.1
[M]- 430.24078 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.