CID 3021267

Cm 41125

Structural Information

Molecular Formula
C18H16ClFN4
SMILES
C1CN(CCN1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F
InChI
InChI=1S/C18H16ClFN4/c19-12-5-6-16-14(11-12)17(13-3-1-2-4-15(13)20)23-18(22-16)24-9-7-21-8-10-24/h1-6,11,21H,7-10H2
InChIKey
GRLGZUWEZUUYDE-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-fluorophenyl)-2-piperazin-1-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

342.10477 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11205 180.9
[M+Na]+ 365.09399 189.3
[M-H]- 341.09749 182.2
[M+NH4]+ 360.13859 189.2
[M+K]+ 381.06793 179.6
[M+H-H2O]+ 325.10203 167.6
[M+HCOO]- 387.10297 187.5
[M+CH3COO]- 401.11862 188.4
[M+Na-2H]- 363.07944 184.4
[M]+ 342.10422 175.8
[M]- 342.10532 175.8
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