CID 3036334

Vbatdt

Structural Information

Molecular Formula
C15H18N4S2
SMILES
CCCN(CC1=CC=C(C=C1)C=C)C2=NC(=S)NC(=S)N2
InChI
InChI=1S/C15H18N4S2/c1-3-9-19(13-16-14(20)18-15(21)17-13)10-12-7-5-11(4-2)6-8-12/h4-8H,2-3,9-10H2,1H3,(H2,16,17,18,20,21)
InChIKey
LZWMABVOCBIKBP-UHFFFAOYSA-N
Compound name
6-[(4-ethenylphenyl)methyl-propylamino]-1H-1,3,5-triazine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

47
Patents

318.0973 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10458 170.4
[M+Na]+ 341.08652 183.1
[M+NH4]+ 336.13112 177.0
[M+K]+ 357.06046 172.0
[M-H]- 317.09002 173.2
[M+Na-2H]- 339.07197 176.5
[M]+ 318.09675 173.8
[M]- 318.09785 173.8
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

patents stripe