CID 49767922

2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-phenyl-quinazoline

Structural Information

Molecular Formula
C21H24N4S
SMILES
CN1CCN(CC1)CCSC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H24N4S/c1-24-11-13-25(14-12-24)15-16-26-21-22-19-10-6-5-9-18(19)20(23-21)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKey
MHSYLMCTXMJSBV-UHFFFAOYSA-N
Compound name
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.17218 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.17946 187.4
[M+Na]+ 387.16140 194.1
[M-H]- 363.16490 191.2
[M+NH4]+ 382.20600 195.5
[M+K]+ 403.13534 185.8
[M+H-H2O]+ 347.16944 175.3
[M+HCOO]- 409.17038 196.0
[M+CH3COO]- 423.18603 194.9
[M+Na-2H]- 385.14685 189.5
[M]+ 364.17163 185.8
[M]- 364.17273 185.8
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