CID 212227

Dtxsid80946811

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]+ 303.066146 167.4
[M+Na]+ 325.048088 175.8
[M-H]- 301.051594 172.0
[M+NH4]+ 320.092693 184.5
[M+K]+ 341.022028 171.1
[M+H-H2O]+ 285.056130 162.4
[M+HCOO]- 347.057071 183.4
[M+CH3COO]- 361.072721 210.0
[M+Na-2H]- 323.033536 168.6
[M]+ 302.05832142 173.6
[M]- 302.05941858 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.