CID 3578413

2-(4-bromophenoxy)-n'-(4-tert-butylcyclohexylidene)propanohydrazide

Structural Information

Molecular Formula
C19H27BrN2O2
SMILES
CC(C(=O)NN=C1CCC(CC1)C(C)(C)C)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C19H27BrN2O2/c1-13(24-17-11-7-15(20)8-12-17)18(23)22-21-16-9-5-14(6-10-16)19(2,3)4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,22,23)
InChIKey
YSZQUXIYDHWSRW-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)-N-[(4-tert-butylcyclohexylidene)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.12558 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13286 189.4
[M+Na]+ 417.11480 194.5
[M-H]- 393.11830 197.9
[M+NH4]+ 412.15940 204.1
[M+K]+ 433.08874 183.4
[M+H-H2O]+ 377.12284 186.5
[M+HCOO]- 439.12378 205.8
[M+CH3COO]- 453.13943 223.0
[M+Na-2H]- 415.10025 190.8
[M]+ 394.12503 205.1
[M]- 394.12613 205.1
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.