CID 6448986

156338-79-3

Structural Information

Molecular Formula
C25H22N4O2S
SMILES
CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/C(=O)N(C2=S)C4=CC=CC=N4
InChI
InChI=1S/C25H22N4O2S/c1-17-8-4-5-9-21(17)28-23(30)20(16-18-11-13-19(14-12-18)27(2)3)24(31)29(25(28)32)22-10-6-7-15-26-22/h4-16H,1-3H3/b20-16+
InChIKey
QZKXEEMQTWLSKB-CAPFRKAQSA-N
Compound name
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(2-methylphenyl)-3-pyridin-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.14636 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.15364 206.6
[M+Na]+ 465.13558 222.7
[M+NH4]+ 460.18018 212.7
[M+K]+ 481.10952 212.0
[M-H]- 441.13908 214.0
[M+Na-2H]- 463.12103 216.3
[M]+ 442.14581 211.5
[M]- 442.14691 211.5
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.