CID 93514

Metazosin

Structural Information

Molecular Formula
C18H25N5O4
SMILES
CC(C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)OC
InChI
InChI=1S/C18H25N5O4/c1-11(25-2)17(24)22-5-7-23(8-6-22)18-20-13-10-15(27-4)14(26-3)9-12(13)16(19)21-18/h9-11H,5-8H2,1-4H3,(H2,19,20,21)
InChIKey
YEOTYALSMRNXLJ-UHFFFAOYSA-N
Compound name
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-methoxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

712
Patents

375.19064 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19792 190.0
[M+Na]+ 398.17986 200.9
[M+NH4]+ 393.22446 194.1
[M+K]+ 414.15380 196.8
[M-H]- 374.18336 190.9
[M+Na-2H]- 396.16531 193.0
[M]+ 375.19009 191.4
[M]- 375.19119 191.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe