CID 121730

Phenol, 2-[[(4-butylphenyl)imino]methyl]-5-methoxy-

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCCCC1=CC=C(C=C1)N=CC2=C(C=C(C=C2)OC)O
InChI
InChI=1S/C18H21NO2/c1-3-4-5-14-6-9-16(10-7-14)19-13-15-8-11-17(21-2)12-18(15)20/h6-13,20H,3-5H2,1-2H3
InChIKey
DFUYRNLWIOXVQP-UHFFFAOYSA-N
Compound name
2-[(4-butylphenyl)iminomethyl]-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

283.15723 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.4
[M+Na]+ 306.146448 174.5
[M-H]- 282.149954 174.1
[M+NH4]+ 301.191053 183.3
[M+K]+ 322.120388 170.2
[M+H-H2O]+ 266.154490 159.2
[M+HCOO]- 328.155431 192.1
[M+CH3COO]- 342.171081 205.0
[M+Na-2H]- 304.131896 171.5
[M]+ 283.15668142 170.4
[M]- 283.15777858 170.4
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