CID 3078093

B 1525

Structural Information

Molecular Formula
C22H33N3O3S
SMILES
CCCCCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(N=CS3)C)O
InChI
InChI=1S/C22H33N3O3S/c1-3-4-7-14-27-21-9-6-5-8-20(21)25-12-10-24(11-13-25)15-19(26)16-28-22-18(2)23-17-29-22/h5-6,8-9,17,19,26H,3-4,7,10-16H2,1-2H3
InChIKey
RBJOATQQXSLTAU-UHFFFAOYSA-N
Compound name
1-[(4-methyl-1,3-thiazol-5-yl)oxy]-3-[4-(2-pentoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.22427 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.23155 201.3
[M+Na]+ 442.21349 204.5
[M-H]- 418.21699 204.5
[M+NH4]+ 437.25809 208.8
[M+K]+ 458.18743 199.3
[M+H-H2O]+ 402.22153 190.9
[M+HCOO]- 464.22247 210.3
[M+CH3COO]- 478.23812 221.8
[M+Na-2H]- 440.19894 196.2
[M]+ 419.22372 203.9
[M]- 419.22482 203.9
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

No patent data available for this compound.