CID 118753629

Hydroxyanastrozole

Structural Information

Molecular Formula
C17H19N5O
SMILES
CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(CO)C#N
InChI
InChI=1S/C17H19N5O/c1-16(2,8-18)14-4-13(7-22-12-20-11-21-22)5-15(6-14)17(3,9-19)10-23/h4-6,11-12,23H,7,10H2,1-3H3
InChIKey
OQTXFTNVWHOUNW-UHFFFAOYSA-N
Compound name
2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-hydroxy-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15897 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.166246 182.5
[M+Na]+ 332.148188 190.0
[M-H]- 308.151694 182.1
[M+NH4]+ 327.192793 189.1
[M+K]+ 348.122128 185.8
[M+H-H2O]+ 292.156230 163.8
[M+HCOO]- 354.157171 188.7
[M+CH3COO]- 368.172821 228.7
[M+Na-2H]- 330.133636 182.2
[M]+ 309.15842142 173.9
[M]- 309.15951858 173.9
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

No patent data available for this compound.