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

498
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 192.0
[M+Na]+ 398.17986 198.0
[M-H]- 374.18336 193.4
[M+NH4]+ 393.22446 198.9
[M+K]+ 414.15380 194.8
[M+H-H2O]+ 358.18790 180.7
[M+HCOO]- 420.18884 204.2
[M+CH3COO]- 434.20449 223.1
[M+Na-2H]- 396.16531 192.2
[M]+ 375.19009 192.9
[M]- 375.19119 192.9
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.