CID 3076022

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

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]+ 287.186626 172.0
[M+Na]+ 309.168568 178.8
[M-H]- 285.172074 173.0
[M+NH4]+ 304.213173 183.0
[M+K]+ 325.142508 173.6
[M+H-H2O]+ 269.176610 160.4
[M+HCOO]- 331.177551 185.7
[M+CH3COO]- 345.193201 180.9
[M+Na-2H]- 307.154016 176.6
[M]+ 286.17880142 170.5
[M]- 286.17989858 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.