CID 3076032

129664-15-9

Structural Information

Molecular Formula
C19H28N4S
SMILES
CCCCCCSC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C
InChI
InChI=1S/C19H28N4S/c1-3-4-5-8-15-24-18-16-9-6-7-10-17(16)20-19(21-18)23-13-11-22(2)12-14-23/h6-7,9-10H,3-5,8,11-15H2,1-2H3
InChIKey
OXCSXXTUVSEZAV-UHFFFAOYSA-N
Compound name
4-hexylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.20346 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21074 184.2
[M+Na]+ 367.19268 190.3
[M-H]- 343.19618 184.7
[M+NH4]+ 362.23728 193.7
[M+K]+ 383.16662 183.3
[M+H-H2O]+ 327.20072 173.3
[M+HCOO]- 389.20166 192.1
[M+CH3COO]- 403.21731 191.6
[M+Na-2H]- 365.17813 184.7
[M]+ 344.20291 184.7
[M]- 344.20401 184.7
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.