CID 3075865

Brn 3629215

Structural Information

Molecular Formula
C19H19ClN4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H19ClN4O/c1-23-9-11-24(12-10-23)19-21-17-8-3-2-7-16(17)18(22-19)25-15-6-4-5-14(20)13-15/h2-8,13H,9-12H2,1H3
InChIKey
ZNHNXVXLAMBEDT-UHFFFAOYSA-N
Compound name
4-(3-chlorophenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.12473 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.132006 185.5
[M+Na]+ 377.113948 193.6
[M-H]- 353.117454 189.4
[M+NH4]+ 372.158553 193.9
[M+K]+ 393.087888 185.8
[M+H-H2O]+ 337.121990 172.4
[M+HCOO]- 399.122931 194.4
[M+CH3COO]- 413.138581 193.6
[M+Na-2H]- 375.099396 189.5
[M]+ 354.12418142 184.7
[M]- 354.12527858 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.