CID 3075876

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

Structural Information

Molecular Formula
C20H22N4O
SMILES
CC1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C
InChI
InChI=1S/C20H22N4O/c1-15-7-9-16(10-8-15)25-19-17-5-3-4-6-18(17)21-20(22-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3
InChIKey
KXILDNPWAWDAHW-UHFFFAOYSA-N
Compound name
4-(4-methylphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17935 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.186626 185.0
[M+Na]+ 357.168568 192.0
[M-H]- 333.172074 189.2
[M+NH4]+ 352.213173 193.4
[M+K]+ 373.142508 185.1
[M+H-H2O]+ 317.176610 171.7
[M+HCOO]- 379.177551 198.3
[M+CH3COO]- 393.193201 193.1
[M+Na-2H]- 355.154016 188.9
[M]+ 334.17880142 182.3
[M]- 334.17989858 182.3
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.