CID 3076014

Quinazoline, 2-(4-ethyl-1-piperazinyl)-4-(pentyloxy)-, (e)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C19H28N4O
SMILES
CCCCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC
InChI
InChI=1S/C19H28N4O/c1-3-5-8-15-24-18-16-9-6-7-10-17(16)20-19(21-18)23-13-11-22(4-2)12-14-23/h6-7,9-10H,3-5,8,11-15H2,1-2H3
InChIKey
HGPJHAMSXURHKL-UHFFFAOYSA-N
Compound name
2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.22632 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.23360 185.1
[M+Na]+ 351.21554 190.4
[M-H]- 327.21904 185.5
[M+NH4]+ 346.26014 194.2
[M+K]+ 367.18948 184.6
[M+H-H2O]+ 311.22358 172.8
[M+HCOO]- 373.22452 197.6
[M+CH3COO]- 387.24017 192.6
[M+Na-2H]- 349.20099 188.0
[M]+ 328.22577 184.5
[M]- 328.22687 184.5
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.