CID 5228583

Schembl10623369

Structural Information

Molecular Formula
C18H25N5O4
SMILES
COCCC(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C18H25N5O4/c1-25-9-4-16(24)22-5-7-23(8-6-22)18-20-13-11-15(27-3)14(26-2)10-12(13)17(19)21-18/h10-11H,4-9H2,1-3H3,(H2,19,20,21)
InChIKey
AHDHPRYJQVCUOL-UHFFFAOYSA-N
Compound name
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

375.19064 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.197916 192.4
[M+Na]+ 398.179858 198.6
[M-H]- 374.183364 193.7
[M+NH4]+ 393.224463 199.3
[M+K]+ 414.153798 194.9
[M+H-H2O]+ 358.187900 180.8
[M+HCOO]- 420.188841 205.5
[M+CH3COO]- 434.204491 222.1
[M+Na-2H]- 396.165306 193.6
[M]+ 375.19009142 193.8
[M]- 375.19118858 193.8
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