CID 3076026

4-(ethylthio)-2-(4-methyl-1-piperazinyl)quinazoline fumarate

Structural Information

Molecular Formula
C15H20N4S
SMILES
CCSC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C
InChI
InChI=1S/C15H20N4S/c1-3-20-14-12-6-4-5-7-13(12)16-15(17-14)19-10-8-18(2)9-11-19/h4-7H,3,8-11H2,1-2H3
InChIKey
XFTLMEVLDXYVQG-UHFFFAOYSA-N
Compound name
4-ethylsulfanyl-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.14087 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14815 167.6
[M+Na]+ 311.13009 175.6
[M-H]- 287.13359 169.0
[M+NH4]+ 306.17469 179.5
[M+K]+ 327.10403 169.5
[M+H-H2O]+ 271.13813 157.5
[M+HCOO]- 333.13907 176.9
[M+CH3COO]- 347.15472 176.8
[M+Na-2H]- 309.11554 170.1
[M]+ 288.14032 166.9
[M]- 288.14142 166.9
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

patents stripe