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]+ 282.185256 168.9
[M+Na]+ 304.167198 175.3
[M-H]- 280.170704 175.5
[M+NH4]+ 299.211803 184.9
[M+K]+ 320.141138 170.7
[M+H-H2O]+ 264.175240 160.9
[M+HCOO]- 326.176181 192.0
[M+CH3COO]- 340.191831 206.7
[M+Na-2H]- 302.152646 171.2
[M]+ 281.17743142 170.2
[M]- 281.17852858 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.