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]+ 296.20088 173.1
[M+Na]+ 318.18282 180.0
[M-H]- 294.18632 179.9
[M+NH4]+ 313.22742 188.8
[M+K]+ 334.15676 175.3
[M+H-H2O]+ 278.19086 165.1
[M+HCOO]- 340.19180 195.9
[M+CH3COO]- 354.20745 211.0
[M+Na-2H]- 316.16827 174.2
[M]+ 295.19305 175.2
[M]- 295.19415 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