CID 3543614

N'-(4-tert-butylcyclohexylidene)-2-(4-chlorophenoxy)propanohydrazide

Structural Information

Molecular Formula
C19H27ClN2O2
SMILES
CC(C(=O)NN=C1CCC(CC1)C(C)(C)C)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H27ClN2O2/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
LKMKOVYGJKLECL-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chlorophenoxy)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.17612 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18340 185.6
[M+Na]+ 373.16534 188.9
[M-H]- 349.16884 192.3
[M+NH4]+ 368.20994 199.5
[M+K]+ 389.13928 185.0
[M+H-H2O]+ 333.17338 178.3
[M+HCOO]- 395.17432 200.3
[M+CH3COO]- 409.18997 219.0
[M+Na-2H]- 371.15079 185.9
[M]+ 350.17557 185.3
[M]- 350.17667 185.3
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.