CID 4357466

N-(4-(dimethylamino)benzylidene)-4-hexadecyloxyaniline

Structural Information

Molecular Formula
C31H48N2O
SMILES
CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C31H48N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-34-31-24-20-29(21-25-31)32-27-28-18-22-30(23-19-28)33(2)3/h18-25,27H,4-17,26H2,1-3H3
InChIKey
GWBPERLKQHFJIV-UHFFFAOYSA-N
Compound name
4-[(4-hexadecoxyphenyl)iminomethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.37668 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.38396 227.0
[M+Na]+ 487.36590 227.0
[M-H]- 463.36940 233.2
[M+NH4]+ 482.41050 235.8
[M+K]+ 503.33984 221.2
[M+H-H2O]+ 447.37394 215.0
[M+HCOO]- 509.37488 249.8
[M+CH3COO]- 523.39053 250.9
[M+Na-2H]- 485.35135 224.7
[M]+ 464.37613 234.9
[M]- 464.37723 234.9
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

No patent data available for this compound.