CID 3061931

2-((butylimino)(2,4-dimethylphenyl)methyl)-4,6-dimethylphenol

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCCN=C(C1=C(C=C(C=C1)C)C)C2=CC(=CC(=C2O)C)C
InChI
InChI=1S/C21H27NO/c1-6-7-10-22-20(18-9-8-14(2)11-16(18)4)19-13-15(3)12-17(5)21(19)23/h8-9,11-13,23H,6-7,10H2,1-5H3
InChIKey
XEGUWELLCJNFNN-UHFFFAOYSA-N
Compound name
2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.20926 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.2
[M+Na]+ 332.19848 184.6
[M-H]- 308.20198 184.2
[M+NH4]+ 327.24308 192.6
[M+K]+ 348.17242 179.7
[M+H-H2O]+ 292.20652 169.2
[M+HCOO]- 354.20746 199.6
[M+CH3COO]- 368.22311 215.2
[M+Na-2H]- 330.18393 177.0
[M]+ 309.20871 180.0
[M]- 309.20981 180.0
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