CID 3078063

B 1223

Structural Information

Molecular Formula
C17H23N3O2S
SMILES
CC1=C(SC=N1)OCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C17H23N3O2S/c1-14-17(23-13-18-14)22-12-11-19-7-9-20(10-8-19)15-5-3-4-6-16(15)21-2/h3-6,13H,7-12H2,1-2H3
InChIKey
MGVJUXJYQITABA-UHFFFAOYSA-N
Compound name
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.1511 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15838 178.1
[M+Na]+ 356.14032 184.9
[M-H]- 332.14382 183.6
[M+NH4]+ 351.18492 190.2
[M+K]+ 372.11426 180.3
[M+H-H2O]+ 316.14836 168.3
[M+HCOO]- 378.14930 191.1
[M+CH3COO]- 392.16495 187.7
[M+Na-2H]- 354.12577 176.2
[M]+ 333.15055 180.1
[M]- 333.15165 180.1
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