CID 212227

23964-47-8

Structural Information

Molecular Formula
C13H16Cl2N2O2
SMILES
CCCOC1=C(C=C(C=C1Cl)C(=O)NN=C(C)C)Cl
InChI
InChI=1S/C13H16Cl2N2O2/c1-4-5-19-12-10(14)6-9(7-11(12)15)13(18)17-16-8(2)3/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKey
ZCUVKTIJZHESOO-UHFFFAOYSA-N
Compound name
3,5-dichloro-N-(propan-2-ylideneamino)-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06615 167.4
[M+Na]+ 325.04809 175.8
[M-H]- 301.05159 172.0
[M+NH4]+ 320.09269 184.5
[M+K]+ 341.02203 171.1
[M+H-H2O]+ 285.05613 162.4
[M+HCOO]- 347.05707 183.4
[M+CH3COO]- 361.07272 210.0
[M+Na-2H]- 323.03354 168.6
[M]+ 302.05832 173.6
[M]- 302.05942 173.6
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.