CID 3048531

2-propen-1-amine, 3,3-bis(p-chlorophenyl)-n-methyl-, oxalate

Structural Information

Molecular Formula
C16H15Cl2N
SMILES
CNCC=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H15Cl2N/c1-19-11-10-16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-10,19H,11H2,1H3
InChIKey
DHHWCWNCVKWOAG-UHFFFAOYSA-N
Compound name
3,3-bis(4-chlorophenyl)-N-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.05817 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06545 166.5
[M+Na]+ 314.04739 182.6
[M+NH4]+ 309.09199 176.3
[M+K]+ 330.02133 172.1
[M-H]- 290.05089 172.2
[M+Na-2H]- 312.03284 176.3
[M]+ 291.05762 171.2
[M]- 291.05872 171.2
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.