CID 3073073

145787-26-4

Structural Information

Molecular Formula
C21H26N4O3S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCN3CCN(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C21H26N4O3S/c1-16-15-17(2)22-20-19(16)21(26)25(29(20,27)28)10-6-9-23-11-13-24(14-12-23)18-7-4-3-5-8-18/h3-5,7-8,15H,6,9-14H2,1-2H3
InChIKey
VPCTUIJYBSXDLY-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1,1-dioxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.17258 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17986 199.3
[M+Na]+ 437.16180 208.4
[M-H]- 413.16530 204.6
[M+NH4]+ 432.20640 209.7
[M+K]+ 453.13574 201.7
[M+H-H2O]+ 397.16984 189.1
[M+HCOO]- 459.17078 208.4
[M+CH3COO]- 473.18643 207.5
[M+Na-2H]- 435.14725 196.8
[M]+ 414.17203 201.3
[M]- 414.17313 201.3
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.