CID 3035119

63991-68-4

Structural Information

Molecular Formula
C17H18N2S
SMILES
CC1(NC2=CC=CC=C2C(=S)N1CC3=CC=CC=C3)C
InChI
InChI=1S/C17H18N2S/c1-17(2)18-15-11-7-6-10-14(15)16(20)19(17)12-13-8-4-3-5-9-13/h3-11,18H,12H2,1-2H3
InChIKey
KJDOWELVVSEMAG-UHFFFAOYSA-N
Compound name
3-benzyl-2,2-dimethyl-1H-quinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 165.2
[M+Na]+ 305.10830 180.5
[M+NH4]+ 300.15290 176.1
[M+K]+ 321.08224 167.5
[M-H]- 281.11180 169.9
[M+Na-2H]- 303.09375 174.5
[M]+ 282.11853 169.6
[M]- 282.11963 169.6
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.