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]+ 310.16625 182.5
[M+Na]+ 332.14819 190.0
[M-H]- 308.15169 182.1
[M+NH4]+ 327.19279 189.1
[M+K]+ 348.12213 185.8
[M+H-H2O]+ 292.15623 163.8
[M+HCOO]- 354.15717 188.7
[M+CH3COO]- 368.17282 228.7
[M+Na-2H]- 330.13364 182.2
[M]+ 309.15842 173.9
[M]- 309.15952 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.