CID 3076024

Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(2-phenylethoxy)-, (e)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C21H24N4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCCC4=CC=CC=C4
InChI
InChI=1S/C21H24N4O/c1-24-12-14-25(15-13-24)21-22-19-10-6-5-9-18(19)20(23-21)26-16-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKey
WIVBIUNUVVNXDV-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-(2-phenylethoxy)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.195 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.202276 188.1
[M+Na]+ 371.184218 193.6
[M-H]- 347.187724 191.6
[M+NH4]+ 366.228823 195.5
[M+K]+ 387.158158 186.5
[M+H-H2O]+ 331.192260 174.3
[M+HCOO]- 393.193201 201.0
[M+CH3COO]- 407.208851 195.4
[M+Na-2H]- 369.169666 192.3
[M]+ 348.19445142 185.2
[M]- 348.19554858 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.