CID 71952

Prizidilol

Structural Information

Molecular Formula
C17H25N5O2
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C2=NN=C(C=C2)NN)O
InChI
InChI=1S/C17H25N5O2/c1-17(2,3)19-10-12(23)11-24-15-7-5-4-6-13(15)14-8-9-16(20-18)22-21-14/h4-9,12,19,23H,10-11,18H2,1-3H3,(H,20,22)
InChIKey
QGONODUKOFNSOY-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[2-(6-hydrazinylpyridazin-3-yl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

52
References

318
Patents

331.20084 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20812 179.9
[M+Na]+ 354.19006 183.9
[M-H]- 330.19356 182.0
[M+NH4]+ 349.23466 189.1
[M+K]+ 370.16400 180.1
[M+H-H2O]+ 314.19810 170.1
[M+HCOO]- 376.19904 199.4
[M+CH3COO]- 390.21469 215.8
[M+Na-2H]- 352.17551 185.0
[M]+ 331.20029 178.5
[M]- 331.20139 178.5
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

patents stripe