CID 1809986

N-(4-isopropylbenzylidene)-n'-phenyl-1,4-phenylenediamine

Structural Information

Molecular Formula
C22H22N2
SMILES
CC(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C22H22N2/c1-17(2)19-10-8-18(9-11-19)16-23-20-12-14-22(15-13-20)24-21-6-4-3-5-7-21/h3-17,24H,1-2H3
InChIKey
OAXBGVGQXKPNCT-UHFFFAOYSA-N
Compound name
N-phenyl-4-[(4-propan-2-ylphenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.17828 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18556 177.1
[M+Na]+ 337.16750 182.1
[M-H]- 313.17100 187.5
[M+NH4]+ 332.21210 191.0
[M+K]+ 353.14144 176.4
[M+H-H2O]+ 297.17554 167.0
[M+HCOO]- 359.17648 202.7
[M+CH3COO]- 373.19213 187.9
[M+Na-2H]- 335.15295 181.9
[M]+ 314.17773 176.0
[M]- 314.17883 176.0
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.