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
1
Annotation Hits

0
References

27
Patents

283.15723 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.4
[M+Na]+ 306.14645 174.5
[M-H]- 282.14995 174.1
[M+NH4]+ 301.19105 183.3
[M+K]+ 322.12039 170.2
[M+H-H2O]+ 266.15449 159.2
[M+HCOO]- 328.15543 192.1
[M+CH3COO]- 342.17108 205.0
[M+Na-2H]- 304.13190 171.5
[M]+ 283.15668 170.4
[M]- 283.15778 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