CID 3061928

2-((butylimino)(2-methylphenyl)methyl)-4-methylphenol

Structural Information

Molecular Formula
C19H23NO
SMILES
CCCCN=C(C1=CC=CC=C1C)C2=C(C=CC(=C2)C)O
InChI
InChI=1S/C19H23NO/c1-4-5-12-20-19(16-9-7-6-8-15(16)3)17-13-14(2)10-11-18(17)21/h6-11,13,21H,4-5,12H2,1-3H3
InChIKey
WTRGCWOPZHGQGK-UHFFFAOYSA-N
Compound name
2-[N-butyl-C-(2-methylphenyl)carbonimidoyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 168.9
[M+Na]+ 304.16720 175.3
[M-H]- 280.17070 175.5
[M+NH4]+ 299.21180 184.9
[M+K]+ 320.14114 170.7
[M+H-H2O]+ 264.17524 160.9
[M+HCOO]- 326.17618 192.0
[M+CH3COO]- 340.19183 206.7
[M+Na-2H]- 302.15265 171.2
[M]+ 281.17743 170.2
[M]- 281.17853 170.2
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

No patent data available for this compound.