CID 65908

Neldazosin

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

192
Patents

375.19064 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.197916 192.2
[M+Na]+ 398.179858 197.7
[M-H]- 374.183364 192.3
[M+NH4]+ 393.224463 198.4
[M+K]+ 414.153798 193.9
[M+H-H2O]+ 358.187900 181.3
[M+HCOO]- 420.188841 202.9
[M+CH3COO]- 434.204491 220.9
[M+Na-2H]- 396.165306 192.0
[M]+ 375.19009142 191.3
[M]- 375.19118858 191.3
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