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 165.6
[M+Na]+ 314.04739 173.8
[M-H]- 290.05089 171.2
[M+NH4]+ 309.09199 182.2
[M+K]+ 330.02133 165.9
[M+H-H2O]+ 274.05543 159.5
[M+HCOO]- 336.05637 179.8
[M+CH3COO]- 350.07202 202.6
[M+Na-2H]- 312.03284 168.9
[M]+ 291.05762 167.7
[M]- 291.05872 167.7
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.