CID 10220983

Benzenamine, n-[4-[(1,3-dimethylbutyl)imino]-2,5-cyclohexadien-1-ylidene]-

Structural Information

Molecular Formula
C18H22N2
SMILES
CC(C)CC(C)N=C1C=CC(=NC2=CC=CC=C2)C=C1
InChI
InChI=1S/C18H22N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3
InChIKey
LTVAIOLMQDKZTP-UHFFFAOYSA-N
Compound name
4-N-(4-methylpentan-2-yl)-1-N-phenylcyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

127
Patents

266.17828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.6
[M+Na]+ 289.16750 169.6
[M-H]- 265.17100 174.0
[M+NH4]+ 284.21210 182.4
[M+K]+ 305.14144 166.5
[M+H-H2O]+ 249.17554 156.7
[M+HCOO]- 311.17648 190.6
[M+CH3COO]- 325.19213 209.2
[M+Na-2H]- 287.15295 168.9
[M]+ 266.17773 164.5
[M]- 266.17883 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe