CID 399235

Nsc709908

Structural Information

Molecular Formula
C19H22N4OS
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)CN3CCN(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C19H22N4OS/c1-14-12-15(2)20-18-17(14)19(24)23(25-18)13-21-8-10-22(11-9-21)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3
InChIKey
NSUNHQVKGYEDJF-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-[(4-phenylpiperazin-1-yl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.15143 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15871 185.0
[M+Na]+ 377.14065 195.6
[M-H]- 353.14415 191.0
[M+NH4]+ 372.18525 196.3
[M+K]+ 393.11459 188.1
[M+H-H2O]+ 337.14869 174.8
[M+HCOO]- 399.14963 197.0
[M+CH3COO]- 413.16528 194.8
[M+Na-2H]- 375.12610 184.1
[M]+ 354.15088 187.0
[M]- 354.15198 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.