CID 3036643

Niosh/mx8958000

Structural Information

Molecular Formula
C15H20N2O2S
SMILES
CC1CN(C(=S)NC1=O)CC2=CC=C(C=C2)OC(C)C
InChI
InChI=1S/C15H20N2O2S/c1-10(2)19-13-6-4-12(5-7-13)9-17-8-11(3)14(18)16-15(17)20/h4-7,10-11H,8-9H2,1-3H3,(H,16,18,20)
InChIKey
YCSBAKTVODFMFU-UHFFFAOYSA-N
Compound name
5-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1,3-diazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.12454 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13182 169.0
[M+Na]+ 315.11376 180.7
[M+NH4]+ 310.15836 175.8
[M+K]+ 331.08770 172.6
[M-H]- 291.11726 171.0
[M+Na-2H]- 313.09921 173.2
[M]+ 292.12399 171.5
[M]- 292.12509 171.5
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.