CID 3068047

Cm 40039

Structural Information

Molecular Formula
C22H25N5O2
SMILES
CC1=C(C(=NN1)NN=N[C@@H]2COC(O[C@@H]2C3=CC=CC=C3)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C22H25N5O2/c1-15-19(16-10-6-4-7-11-16)21(25-23-15)26-27-24-18-14-28-22(2,3)29-20(18)17-12-8-5-9-13-17/h4-13,18,20H,14H2,1-3H3,(H2,23,24,25,26)/t18-,20-/m1/s1
InChIKey
APOAXMGSAIEMPN-UYAOXDASSA-N
Compound name
N-[[(4R,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]diazenyl]-5-methyl-4-phenyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.20084 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 195.9
[M+Na]+ 414.19006 209.1
[M+NH4]+ 409.23466 203.9
[M+K]+ 430.16400 201.6
[M-H]- 390.19356 206.9
[M+Na-2H]- 412.17551 206.2
[M]+ 391.20029 201.0
[M]- 391.20139 201.0
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

No patent data available for this compound.