CID 3061929

2-((butylimino)(2,4-dimethylphenyl)methyl)-4-methylphenol

Structural Information

Molecular Formula
C20H25NO
SMILES
CCCCN=C(C1=C(C=C(C=C1)C)C)C2=C(C=CC(=C2)C)O
InChI
InChI=1S/C20H25NO/c1-5-6-11-21-20(17-9-7-14(2)12-16(17)4)18-13-15(3)8-10-19(18)22/h7-10,12-13,22H,5-6,11H2,1-4H3
InChIKey
KGNGSAXTZRXMCI-UHFFFAOYSA-N
Compound name
2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.1936 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 173.1
[M+Na]+ 318.182818 180.0
[M-H]- 294.186324 179.9
[M+NH4]+ 313.227423 188.8
[M+K]+ 334.156758 175.3
[M+H-H2O]+ 278.190860 165.1
[M+HCOO]- 340.191801 195.9
[M+CH3COO]- 354.207451 211.0
[M+Na-2H]- 316.168266 174.2
[M]+ 295.19305142 175.2
[M]- 295.19414858 175.2
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