CID 73717287

67939-85-9

Structural Information

Molecular Formula
C21H22N2O
SMILES
CC1CCC(=CC2=CC=C(C=C2)N)C(=O)C1=CC3=CC=C(C=C3)N
InChI
InChI=1S/C21H22N2O/c1-14-2-7-17(12-15-3-8-18(22)9-4-15)21(24)20(14)13-16-5-10-19(23)11-6-16/h3-6,8-14H,2,7,22-23H2,1H3
InChIKey
DVXFIQOKEGQIDU-UHFFFAOYSA-N
Compound name
2,6-bis[(4-aminophenyl)methylidene]-3-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 178.9
[M+Na]+ 341.16244 184.7
[M-H]- 317.16594 187.3
[M+NH4]+ 336.20704 192.2
[M+K]+ 357.13638 177.3
[M+H-H2O]+ 301.17048 169.9
[M+HCOO]- 363.17142 199.4
[M+CH3COO]- 377.18707 213.3
[M+Na-2H]- 339.14789 177.8
[M]+ 318.17267 171.3
[M]- 318.17377 171.3
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.