CID 3078075

B 1342

Structural Information

Molecular Formula
C19H27N3O2S
SMILES
CCCOC1=CC=CC=C1N2CCN(CC2)CCOC3=C(N=CS3)C
InChI
InChI=1S/C19H27N3O2S/c1-3-13-23-18-7-5-4-6-17(18)22-10-8-21(9-11-22)12-14-24-19-16(2)20-15-25-19/h4-7,15H,3,8-14H2,1-2H3
InChIKey
SKGFPPRDNMOPRB-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-[4-(2-propoxyphenyl)piperazin-1-yl]ethoxy]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.1824 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.189676 186.5
[M+Na]+ 384.171618 192.3
[M-H]- 360.175124 191.5
[M+NH4]+ 379.216223 197.3
[M+K]+ 400.145558 187.3
[M+H-H2O]+ 344.179660 176.2
[M+HCOO]- 406.180601 198.8
[M+CH3COO]- 420.196251 212.7
[M+Na-2H]- 382.157066 183.6
[M]+ 361.18185142 189.0
[M]- 361.18294858 189.0
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