CID 135480675

(2z)-5-methyl-2-[(e)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methylenehydrazono]-3-(p-tolyl)-6h-thiazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C30H25N7OS
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2/C=N/N=C\3/N(C4=C(S3)C(=O)NC(=N4)C)C5=CC=C(C=C5)C)C6=CC=CC=C6
InChI
InChI=1S/C30H25N7OS/c1-19-9-13-22(14-10-19)26-23(18-36(35-26)24-7-5-4-6-8-24)17-31-34-30-37(25-15-11-20(2)12-16-25)28-27(39-30)29(38)33-21(3)32-28/h4-18H,1-3H3,(H,32,33,38)/b31-17+,34-30-
InChIKey
FEPIBWATPVKHLC-QXAUWBGYSA-N
Compound name
(2Z)-5-methyl-3-(4-methylphenyl)-2-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidenehydrazinylidene]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

531.18414 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.19142 231.3
[M+Na]+ 554.17336 243.8
[M-H]- 530.17686 245.5
[M+NH4]+ 549.21796 235.7
[M+K]+ 570.14730 232.7
[M+H-H2O]+ 514.18140 219.1
[M+HCOO]- 576.18234 249.2
[M+CH3COO]- 590.19799 239.5
[M+Na-2H]- 552.15881 229.5
[M]+ 531.18359 237.3
[M]- 531.18469 237.3
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.