CID 9588423

3-(cinnamylideneamino)-2,7,9-trimethylpyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C21H18N4OS
SMILES
CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)/N=C/C=C/C4=CC=CC=C4)C
InChI
InChI=1S/C21H18N4OS/c1-13-12-14(2)23-20-17(13)18-19(27-20)21(26)25(15(3)24-18)22-11-7-10-16-8-5-4-6-9-16/h4-12H,1-3H3/b10-7+,22-11+
InChIKey
SXEKPLXXWFTMJM-PGTOKJAFSA-N
Compound name
4,11,13-trimethyl-5-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.12012 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12740 190.2
[M+Na]+ 397.10934 207.5
[M+NH4]+ 392.15394 198.2
[M+K]+ 413.08328 197.2
[M-H]- 373.11284 195.3
[M+Na-2H]- 395.09479 197.8
[M]+ 374.11957 194.8
[M]- 374.12067 194.8
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.