CID 3075872

Brn 3656336

Structural Information

Molecular Formula
C21H24N4O
SMILES
CCCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC=C4
InChI
InChI=1S/C21H24N4O/c1-2-12-24-13-15-25(16-14-24)21-22-19-11-7-6-10-18(19)20(23-21)26-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
InChIKey
LNBBCYNYRUQCKT-UHFFFAOYSA-N
Compound name
4-phenoxy-2-(4-propylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.195 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20228 188.1
[M+Na]+ 371.18422 193.6
[M-H]- 347.18772 191.6
[M+NH4]+ 366.22882 195.5
[M+K]+ 387.15816 186.5
[M+H-H2O]+ 331.19226 174.3
[M+HCOO]- 393.19320 201.0
[M+CH3COO]- 407.20885 195.4
[M+Na-2H]- 369.16967 192.3
[M]+ 348.19445 185.2
[M]- 348.19555 185.2
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.