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

3
Patents

309.20926 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 177.2
[M+Na]+ 332.198478 184.6
[M-H]- 308.201984 184.2
[M+NH4]+ 327.243083 192.6
[M+K]+ 348.172418 179.7
[M+H-H2O]+ 292.206520 169.2
[M+HCOO]- 354.207461 199.6
[M+CH3COO]- 368.223111 215.2
[M+Na-2H]- 330.183926 177.0
[M]+ 309.20871142 180.0
[M]- 309.20980858 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