CID 15917964

89513-68-8

Structural Information

Molecular Formula
C18H25N5O2S
SMILES
CC1(CC2=C(C(=O)C1)SC3=NC=NC(=C3N2)N4CCN(CC4)CCO)C
InChI
InChI=1S/C18H25N5O2S/c1-18(2)9-12-15(13(25)10-18)26-17-14(21-12)16(19-11-20-17)23-5-3-22(4-6-23)7-8-24/h11,21,24H,3-10H2,1-2H3
InChIKey
ZTOGPLWJXVXXMW-UHFFFAOYSA-N
Compound name
4-[4-(2-hydroxyethyl)piperazin-1-yl]-7,7-dimethyl-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.17288 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18016 190.8
[M+Na]+ 398.16210 197.2
[M-H]- 374.16560 188.3
[M+NH4]+ 393.20670 199.0
[M+K]+ 414.13604 189.9
[M+H-H2O]+ 358.17014 180.5
[M+HCOO]- 420.17108 190.7
[M+CH3COO]- 434.18673 196.1
[M+Na-2H]- 396.14755 191.6
[M]+ 375.17233 186.2
[M]- 375.17343 186.2
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.