CID 3021268

Cm 41128

Structural Information

Molecular Formula
C21H22ClFN4
SMILES
CCCN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F
InChI
InChI=1S/C21H22ClFN4/c1-2-9-26-10-12-27(13-11-26)21-24-19-8-7-15(22)14-17(19)20(25-21)16-5-3-4-6-18(16)23/h3-8,14H,2,9-13H2,1H3
InChIKey
SFCMIHMXMMTBJX-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-fluorophenyl)-2-(4-propylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1517 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15898 195.5
[M+Na]+ 407.14092 203.7
[M-H]- 383.14442 197.9
[M+NH4]+ 402.18552 202.9
[M+K]+ 423.11486 194.3
[M+H-H2O]+ 367.14896 181.1
[M+HCOO]- 429.14990 202.4
[M+CH3COO]- 443.16555 202.5
[M+Na-2H]- 405.12637 196.8
[M]+ 384.15115 193.3
[M]- 384.15225 193.3
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.