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

2
Patents

375.19064 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19792 192.4
[M+Na]+ 398.17986 198.6
[M-H]- 374.18336 193.7
[M+NH4]+ 393.22446 199.3
[M+K]+ 414.15380 194.9
[M+H-H2O]+ 358.18790 180.8
[M+HCOO]- 420.18884 205.5
[M+CH3COO]- 434.20449 222.1
[M+Na-2H]- 396.16531 193.6
[M]+ 375.19009 193.8
[M]- 375.19119 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