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
1
Annotation Hits

0
References

175
Patents

375.19064 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19792 192.2
[M+Na]+ 398.17986 197.7
[M-H]- 374.18336 192.3
[M+NH4]+ 393.22446 198.4
[M+K]+ 414.15380 193.9
[M+H-H2O]+ 358.18790 181.3
[M+HCOO]- 420.18884 202.9
[M+CH3COO]- 434.20449 220.9
[M+Na-2H]- 396.16531 192.0
[M]+ 375.19009 191.3
[M]- 375.19119 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