CID 11468671

N,n'-[bis(2,6-dimethylphenyl)-1,3-dimethyl-1,3-propanediylidene](methyl) (triethylphosphine)palladium(ii)

Structural Information

Molecular Formula
C21H26N2
SMILES
CC1=C(C(=CC=C1)C)N/C(=C\C(=NC2=C(C=CC=C2C)C)C)/C
InChI
InChI=1S/C21H26N2/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4/h7-13,22H,1-6H3/b18-13-,23-19?
InChIKey
XXZVZICLUJKKAL-JJEZRMFNSA-N
Compound name
N-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]-2,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

306.2096 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 177.5
[M+Na]+ 329.19882 183.8
[M-H]- 305.20232 185.6
[M+NH4]+ 324.24342 193.1
[M+K]+ 345.17276 179.0
[M+H-H2O]+ 289.20686 169.1
[M+HCOO]- 351.20780 201.4
[M+CH3COO]- 365.22345 218.8
[M+Na-2H]- 327.18427 177.7
[M]+ 306.20905 178.3
[M]- 306.21015 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe