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 185.1
[M+Na]+ 366.15952 192.0
[M-H]- 342.16302 191.6
[M+NH4]+ 361.20412 199.7
[M+K]+ 382.13346 185.7
[M+H-H2O]+ 326.16756 178.0
[M+HCOO]- 388.16850 201.5
[M+CH3COO]- 402.18415 216.1
[M+Na-2H]- 364.14497 186.7
[M]+ 343.16975 189.0
[M]- 343.17085 189.0
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

No patent data available for this compound.