CID 212262

Brn 3085839

Structural Information

Molecular Formula
C14H18Cl2N2O2
SMILES
CCCCOC1=C(C=C(C=C1Cl)C(=O)NN=C(C)C)Cl
InChI
InChI=1S/C14H18Cl2N2O2/c1-4-5-6-20-13-11(15)7-10(8-12(13)16)14(19)18-17-9(2)3/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKey
WZUKTBUDOOTDOD-UHFFFAOYSA-N
Compound name
4-butoxy-3,5-dichloro-N-(propan-2-ylideneamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.07452 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08180 172.0
[M+Na]+ 339.06374 180.0
[M-H]- 315.06724 176.4
[M+NH4]+ 334.10834 188.6
[M+K]+ 355.03768 175.1
[M+H-H2O]+ 299.07178 166.8
[M+HCOO]- 361.07272 187.7
[M+CH3COO]- 375.08837 212.9
[M+Na-2H]- 337.04919 172.7
[M]+ 316.07397 178.6
[M]- 316.07507 178.6
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.