CID 3076022

2-(4-methyl-1-piperazinyl)-4-propoxyquinazoline fumarate

Structural Information

Molecular Formula
C16H22N4O
SMILES
CCCOC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)C
InChI
InChI=1S/C16H22N4O/c1-3-12-21-15-13-6-4-5-7-14(13)17-16(18-15)20-10-8-19(2)9-11-20/h4-7H,3,8-12H2,1-2H3
InChIKey
SOCXFKJFOXOAOD-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-propoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.17935 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18663 172.0
[M+Na]+ 309.16857 178.8
[M-H]- 285.17207 173.0
[M+NH4]+ 304.21317 183.0
[M+K]+ 325.14251 173.6
[M+H-H2O]+ 269.17661 160.4
[M+HCOO]- 331.17755 185.7
[M+CH3COO]- 345.19320 180.9
[M+Na-2H]- 307.15402 176.6
[M]+ 286.17880 170.5
[M]- 286.17990 170.5
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.