CID 121526

1697-07-0

Structural Information

Molecular Formula
C14H20Cl2N2O
SMILES
CC(C(=O)N(C)C1=CC=CC=C1)N(CCCl)CCCl
InChI
InChI=1S/C14H20Cl2N2O/c1-12(18(10-8-15)11-9-16)14(19)17(2)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKey
QVFHESITQIMEPN-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10256 170.9
[M+Na]+ 325.08450 175.8
[M-H]- 301.08800 175.7
[M+NH4]+ 320.12910 187.7
[M+K]+ 341.05844 172.5
[M+H-H2O]+ 285.09254 164.8
[M+HCOO]- 347.09348 185.7
[M+CH3COO]- 361.10913 213.1
[M+Na-2H]- 323.06995 171.7
[M]+ 302.09473 176.5
[M]- 302.09583 176.5
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.