CID 121232773

Dtxsid2052609

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)N=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C21H26N2O2/c1-15(14-16-10-12-17(13-11-16)21(2,3)4)22-23-19-9-7-6-8-18(19)20(24)25-5/h6-13,15H,14H2,1-5H3
InChIKey
HCYRUADDKFDUII-UHFFFAOYSA-N
Compound name
methyl 2-[1-(4-tert-butylphenyl)propan-2-yldiazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 184.1
[M+Na]+ 361.18865 189.2
[M-H]- 337.19215 193.2
[M+NH4]+ 356.23325 198.5
[M+K]+ 377.16259 187.0
[M+H-H2O]+ 321.19669 175.1
[M+HCOO]- 383.19763 208.4
[M+CH3COO]- 397.21328 222.7
[M+Na-2H]- 359.17410 187.1
[M]+ 338.19888 188.3
[M]- 338.19998 188.3
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

No patent data available for this compound.