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]+ 303.066146 166.8
[M+Na]+ 325.048088 175.0
[M-H]- 301.051594 171.5
[M+NH4]+ 320.092693 183.9
[M+K]+ 341.022028 170.9
[M+H-H2O]+ 285.056130 162.1
[M+HCOO]- 347.057071 182.0
[M+CH3COO]- 361.072721 210.9
[M+Na-2H]- 323.033536 167.0
[M]+ 302.05832142 172.5
[M]- 302.05941858 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.