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]+ 362.18968 186.5
[M+Na]+ 384.17162 192.3
[M-H]- 360.17512 191.5
[M+NH4]+ 379.21622 197.3
[M+K]+ 400.14556 187.3
[M+H-H2O]+ 344.17966 176.2
[M+HCOO]- 406.18060 198.8
[M+CH3COO]- 420.19625 212.7
[M+Na-2H]- 382.15707 183.6
[M]+ 361.18185 189.0
[M]- 361.18295 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