CID 3039479

5-thiazolecarboxamide, n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C23H26N4O2S
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCNC(=O)C3=CN=C(S3)C4=CC=CC=C4
InChI
InChI=1S/C23H26N4O2S/c1-29-20-10-6-5-9-19(20)27-15-13-26(14-16-27)12-11-24-22(28)21-17-25-23(30-21)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,24,28)
InChIKey
WLYGBSGJJNNCSO-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.17764 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18492 199.7
[M+Na]+ 445.16686 204.0
[M-H]- 421.17036 207.7
[M+NH4]+ 440.21146 206.8
[M+K]+ 461.14080 197.5
[M+H-H2O]+ 405.17490 188.2
[M+HCOO]- 467.17584 212.1
[M+CH3COO]- 481.19149 206.9
[M+Na-2H]- 443.15231 197.5
[M]+ 422.17709 198.9
[M]- 422.17819 198.9
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