CID 4356578

N,n-bis(2-cyanoethyl)-alpha-phenylimino-p-toluidine

Structural Information

Molecular Formula
C19H18N4
SMILES
C1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)CCC#N
InChI
InChI=1S/C19H18N4/c20-12-4-14-23(15-5-13-21)19-10-8-17(9-11-19)16-22-18-6-2-1-3-7-18/h1-3,6-11,16H,4-5,14-15H2
InChIKey
GEWVPFPUUZSDFJ-UHFFFAOYSA-N
Compound name
3-[N-(2-cyanoethyl)-4-(phenyliminomethyl)anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16042 198.7
[M+Na]+ 325.14236 207.5
[M+NH4]+ 320.18696 199.2
[M+K]+ 341.11630 194.4
[M-H]- 301.14586 191.3
[M+Na-2H]- 323.12781 199.1
[M]+ 302.15259 196.6
[M]- 302.15369 196.6
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.