CID 212228

Brn 3085481

Structural Information

Molecular Formula
C13H16Cl2N2O2
SMILES
CC(C)OC1=C(C=C(C=C1Cl)C(=O)NN=C(C)C)Cl
InChI
InChI=1S/C13H16Cl2N2O2/c1-7(2)16-17-13(18)9-5-10(14)12(11(15)6-9)19-8(3)4/h5-6,8H,1-4H3,(H,17,18)
InChIKey
WGZDZHXDDGREDI-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(propan-2-ylideneamino)-4-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05887 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06615 166.8
[M+Na]+ 325.04809 175.0
[M-H]- 301.05159 171.5
[M+NH4]+ 320.09269 183.9
[M+K]+ 341.02203 170.9
[M+H-H2O]+ 285.05613 162.1
[M+HCOO]- 347.05707 182.0
[M+CH3COO]- 361.07272 210.9
[M+Na-2H]- 323.03354 167.0
[M]+ 302.05832 172.5
[M]- 302.05942 172.5
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.