CID 485228

4-hexadecylsulfanylquinazoline

Structural Information

Molecular Formula
C24H38N2S
SMILES
CCCCCCCCCCCCCCCCSC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C24H38N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-22-18-15-16-19-23(22)25-21-26-24/h15-16,18-19,21H,2-14,17,20H2,1H3
InChIKey
IIIZIBONVFBGOT-UHFFFAOYSA-N
Compound name
4-hexadecylsulfanylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.27557 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.28285 197.6
[M+Na]+ 409.26479 201.2
[M-H]- 385.26829 196.8
[M+NH4]+ 404.30939 208.4
[M+K]+ 425.23873 193.7
[M+H-H2O]+ 369.27283 187.5
[M+HCOO]- 431.27377 209.4
[M+CH3COO]- 445.28942 223.4
[M+Na-2H]- 407.25024 197.6
[M]+ 386.27502 205.0
[M]- 386.27612 205.0
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.