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 164.3
[M+Na]+ 305.10830 173.2
[M-H]- 281.11180 167.7
[M+NH4]+ 300.15290 180.6
[M+K]+ 321.08224 165.9
[M+H-H2O]+ 265.11634 156.2
[M+HCOO]- 327.11728 175.8
[M+CH3COO]- 341.13293 174.7
[M+Na-2H]- 303.09375 167.9
[M]+ 282.11853 162.7
[M]- 282.11963 162.7
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.