CID 3039682

50930-37-5

Structural Information

Molecular Formula
C22H32N4O2S
SMILES
CCCC1=NC=C(S1)C(=O)NCCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C22H32N4O2S/c1-3-8-21-24-17-20(29-21)22(27)23-11-6-7-12-25-13-15-26(16-14-25)18-9-4-5-10-19(18)28-2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,23,27)
InChIKey
REFLFKYHVAUXNF-UHFFFAOYSA-N
Compound name
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2-propyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

416.2246 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23188 201.6
[M+Na]+ 439.21382 211.4
[M+NH4]+ 434.25842 207.3
[M+K]+ 455.18776 204.0
[M-H]- 415.21732 205.3
[M+Na-2H]- 437.19927 206.7
[M]+ 416.22405 204.2
[M]- 416.22515 204.2
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

patents stripe