CID 384897

Nsc675583

Structural Information

Molecular Formula
C22H20ClN3O2
SMILES
CN(C)CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H20ClN3O2/c1-26(2)15-17-14-20(25-24-19-10-8-18(23)9-11-19)12-13-21(17)28-22(27)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKey
RUFZYCYLQXSQLA-UHFFFAOYSA-N
Compound name
[4-[(4-chlorophenyl)diazenyl]-2-[(dimethylamino)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1244 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13168 195.9
[M+Na]+ 416.11362 202.3
[M-H]- 392.11712 209.1
[M+NH4]+ 411.15822 208.5
[M+K]+ 432.08756 198.0
[M+H-H2O]+ 376.12166 185.1
[M+HCOO]- 438.12260 220.4
[M+CH3COO]- 452.13825 233.9
[M+Na-2H]- 414.09907 199.4
[M]+ 393.12385 202.1
[M]- 393.12495 202.1
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.