CID 2758484

6,7-dimethoxy-4-piperazin-1-yl-quinazoline

Structural Information

Molecular Formula
C14H18N4O2
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCNCC3)OC
InChI
InChI=1S/C14H18N4O2/c1-19-12-7-10-11(8-13(12)20-2)16-9-17-14(10)18-5-3-15-4-6-18/h7-9,15H,3-6H2,1-2H3
InChIKey
HGQPTOFRZXUHHS-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-piperazin-1-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

274.14297 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.150246 166.3
[M+Na]+ 297.132188 173.3
[M-H]- 273.135694 166.4
[M+NH4]+ 292.176793 176.9
[M+K]+ 313.106128 168.4
[M+H-H2O]+ 257.140230 155.3
[M+HCOO]- 319.141171 179.3
[M+CH3COO]- 333.156821 175.2
[M+Na-2H]- 295.117636 171.6
[M]+ 274.14242142 163.8
[M]- 274.14351858 163.8
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

patents stripe