CID 3075876

2-(4-methyl-1-piperazinyl)-4-p-tolyloxyquinazoline fumarate

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]+ 335.18663 185.0
[M+Na]+ 357.16857 192.0
[M-H]- 333.17207 189.2
[M+NH4]+ 352.21317 193.4
[M+K]+ 373.14251 185.1
[M+H-H2O]+ 317.17661 171.7
[M+HCOO]- 379.17755 198.3
[M+CH3COO]- 393.19320 193.1
[M+Na-2H]- 355.15402 188.9
[M]+ 334.17880 182.3
[M]- 334.17990 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.