CID 17545865

Propanedinitrile, 2-[[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-

Structural Information

Molecular Formula
C19H17N3
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=C(C#N)C#N
InChI
InChI=1S/C19H17N3/c1-2-22(15-17-6-4-3-5-7-17)19-10-8-16(9-11-19)12-18(13-20)14-21/h3-12H,2,15H2,1H3
InChIKey
JAFGLFJHIQTWMQ-UHFFFAOYSA-N
Compound name
2-[[4-[benzyl(ethyl)amino]phenyl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

287.14224 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14952 182.6
[M+Na]+ 310.13146 190.8
[M-H]- 286.13496 186.9
[M+NH4]+ 305.17606 192.3
[M+K]+ 326.10540 184.0
[M+H-H2O]+ 270.13950 165.4
[M+HCOO]- 332.14044 194.5
[M+CH3COO]- 346.15609 231.4
[M+Na-2H]- 308.11691 182.0
[M]+ 287.14169 173.9
[M]- 287.14279 173.9
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

patents stripe