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 182.8
[M+Na]+ 325.14236 190.7
[M-H]- 301.14586 187.6
[M+NH4]+ 320.18696 192.3
[M+K]+ 341.11630 184.5
[M+H-H2O]+ 285.15040 165.0
[M+HCOO]- 347.15134 196.8
[M+CH3COO]- 361.16699 235.6
[M+Na-2H]- 323.12781 183.6
[M]+ 302.15259 175.2
[M]- 302.15369 175.2
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.