CID 478552

4-(1-anilinobut-3-enyl)-n,n-dimethyl-aniline

Structural Information

Molecular Formula
C18H22N2
SMILES
CN(C)C1=CC=C(C=C1)C(CC=C)NC2=CC=CC=C2
InChI
InChI=1S/C18H22N2/c1-4-8-18(19-16-9-6-5-7-10-16)15-11-13-17(14-12-15)20(2)3/h4-7,9-14,18-19H,1,8H2,2-3H3
InChIKey
DHTDYPRZYYKGFT-UHFFFAOYSA-N
Compound name
4-(1-anilinobut-3-enyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.17828 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.3
[M+Na]+ 289.16750 169.5
[M-H]- 265.17100 172.6
[M+NH4]+ 284.21210 181.4
[M+K]+ 305.14144 165.8
[M+H-H2O]+ 249.17554 156.6
[M+HCOO]- 311.17648 190.0
[M+CH3COO]- 325.19213 208.4
[M+Na-2H]- 287.15295 169.2
[M]+ 266.17773 164.6
[M]- 266.17883 164.6
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.