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]+ 302.16518 185.1
[M+Na]+ 324.14712 193.6
[M-H]- 300.15062 189.6
[M+NH4]+ 319.19172 194.7
[M+K]+ 340.12106 186.9
[M+H-H2O]+ 284.15516 168.0
[M+HCOO]- 346.15610 196.8
[M+CH3COO]- 360.17175 234.0
[M+Na-2H]- 322.13257 183.7
[M]+ 301.15735 176.9
[M]- 301.15845 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.