CID 3033746

91959-84-1

Structural Information

Molecular Formula
C13H15N3O3S
SMILES
CN(C)C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H15N3O3S/c1-15(2)10-11(17)14-13(20)16(12(10)18)8-4-6-9(19-3)7-5-8/h4-7,10H,1-3H3,(H,14,17,20)
InChIKey
HCMUPVPJUMPZNI-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0834 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09068 165.1
[M+Na]+ 316.07262 173.0
[M-H]- 292.07612 169.4
[M+NH4]+ 311.11722 178.3
[M+K]+ 332.04656 168.9
[M+H-H2O]+ 276.08066 157.0
[M+HCOO]- 338.08160 178.8
[M+CH3COO]- 352.09725 204.8
[M+Na-2H]- 314.05807 164.1
[M]+ 293.08285 165.6
[M]- 293.08395 165.6
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.