CID 3061944

2-((butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol

Structural Information

Molecular Formula
C21H26ClNO
SMILES
CCCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)C(C)(C)C)O
InChI
InChI=1S/C21H26ClNO/c1-5-6-13-23-20(15-7-10-17(22)11-8-15)18-14-16(21(2,3)4)9-12-19(18)24/h7-12,14,24H,5-6,13H2,1-4H3
InChIKey
YDEFUUFWCDTDEQ-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1703 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17758 186.4
[M+Na]+ 366.15952 200.6
[M+NH4]+ 361.20412 194.5
[M+K]+ 382.13346 191.6
[M-H]- 342.16302 191.2
[M+Na-2H]- 364.14497 194.3
[M]+ 343.16975 190.3
[M]- 343.17085 190.3
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.