CID 3061940

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

Structural Information

Molecular Formula
C19H22BrNO
SMILES
CCCCN=C(C1=CC=CC=C1Br)C2=CC(=CC(=C2O)C)C
InChI
InChI=1S/C19H22BrNO/c1-4-5-10-21-18(15-8-6-7-9-17(15)20)16-12-13(2)11-14(3)19(16)22/h6-9,11-12,22H,4-5,10H2,1-3H3
InChIKey
IJDQQWSMIJPYFY-UHFFFAOYSA-N
Compound name
2-[C-(2-bromophenyl)-N-butylcarbonimidoyl]-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.08847 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09575 179.4
[M+Na]+ 382.07769 189.3
[M-H]- 358.08119 188.4
[M+NH4]+ 377.12229 196.1
[M+K]+ 398.05163 176.2
[M+H-H2O]+ 342.08573 177.2
[M+HCOO]- 404.08667 199.7
[M+CH3COO]- 418.10232 216.0
[M+Na-2H]- 380.06314 181.8
[M]+ 359.08792 199.4
[M]- 359.08902 199.4
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.