CID 704287

Usaf k-1356

Structural Information

Molecular Formula
C17H18N2S
SMILES
CC1=CC(NC(=S)N1C2=CC=CC3=CC=CC=C32)(C)C
InChI
InChI=1S/C17H18N2S/c1-12-11-17(2,3)18-16(20)19(12)15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,1-3H3,(H,18,20)
InChIKey
RTYKZXSWOAWXDS-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3-naphthalen-1-yl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.11908 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12636 165.5
[M+Na]+ 305.10830 181.2
[M+NH4]+ 300.15290 176.4
[M+K]+ 321.08224 168.4
[M-H]- 281.11180 170.3
[M+Na-2H]- 303.09375 174.6
[M]+ 282.11853 170.0
[M]- 282.11963 170.0
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

No patent data available for this compound.