CID 116833

4-(2,2-dicyanoethenyl)-n,3-dimethyl-n-benzylaniline

Structural Information

Molecular Formula
C19H17N3
SMILES
CC1=C(C=CC(=C1)N(C)CC2=CC=CC=C2)C=C(C#N)C#N
InChI
InChI=1S/C19H17N3/c1-15-10-19(9-8-18(15)11-17(12-20)13-21)22(2)14-16-6-4-3-5-7-16/h3-11H,14H2,1-2H3
InChIKey
ZYRPCIMUZREFPS-UHFFFAOYSA-N
Compound name
2-[[4-[benzyl(methyl)amino]-2-methylphenyl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 182.4
[M+Na]+ 310.13146 191.2
[M-H]- 286.13496 187.1
[M+NH4]+ 305.17606 192.4
[M+K]+ 326.10540 184.7
[M+H-H2O]+ 270.13950 165.5
[M+HCOO]- 332.14044 194.4
[M+CH3COO]- 346.15609 232.1
[M+Na-2H]- 308.11691 181.4
[M]+ 287.14169 174.0
[M]- 287.14279 174.0
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