CID 44148544

Propanedinitrile, ((4-(ethyl(phenylmethyl)amino)-2-methylphenyl)methylene)-

Structural Information

Molecular Formula
C20H19N3
SMILES
CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C#N)C
InChI
InChI=1S/C20H19N3/c1-3-23(15-17-7-5-4-6-8-17)20-10-9-19(16(2)11-20)12-18(13-21)14-22/h4-12H,3,15H2,1-2H3
InChIKey
CDOBZIXOHFSLGP-UHFFFAOYSA-N
Compound name
2-[[4-[benzyl(ethyl)amino]-2-methylphenyl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

301.1579 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.165176 185.1
[M+Na]+ 324.147118 193.6
[M-H]- 300.150624 189.6
[M+NH4]+ 319.191723 194.7
[M+K]+ 340.121058 186.9
[M+H-H2O]+ 284.155160 168.0
[M+HCOO]- 346.156101 196.8
[M+CH3COO]- 360.171751 234.0
[M+Na-2H]- 322.132566 183.7
[M]+ 301.15735142 176.9
[M]- 301.15844858 176.9
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.