CID 9584029

Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3h)-one, 3-(benzylideneamino)-2,7,9-trimethyl-

Structural Information

Molecular Formula
C19H16N4OS
SMILES
CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)/N=C/C4=CC=CC=C4)C
InChI
InChI=1S/C19H16N4OS/c1-11-9-12(2)21-18-15(11)16-17(25-18)19(24)23(13(3)22-16)20-10-14-7-5-4-6-8-14/h4-10H,1-3H3/b20-10+
InChIKey
HKDAEZOGNFGKDQ-KEBDBYFISA-N
Compound name
5-[(E)-benzylideneamino]-4,11,13-trimethyl-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

348.1045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11178 181.9
[M+Na]+ 371.09372 199.6
[M+NH4]+ 366.13832 190.5
[M+K]+ 387.06766 189.8
[M-H]- 347.09722 187.3
[M+Na-2H]- 369.07917 190.1
[M]+ 348.10395 186.7
[M]- 348.10505 186.7
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.