CID 47501

64977-06-6

Structural Information

Molecular Formula
C14H20Cl2N2O2
SMILES
CC(CC1=CC=C(C=C1)N(CCCl)CCCl)(C(=O)O)N
InChI
InChI=1S/C14H20Cl2N2O2/c1-14(17,13(19)20)10-11-2-4-12(5-3-11)18(8-6-15)9-7-16/h2-5H,6-10,17H2,1H3,(H,19,20)
InChIKey
FZMFZUVMIYPKNS-UHFFFAOYSA-N
Compound name
2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.09018 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09746 173.1
[M+Na]+ 341.07940 182.9
[M+NH4]+ 336.12400 179.6
[M+K]+ 357.05334 177.0
[M-H]- 317.08290 174.1
[M+Na-2H]- 339.06485 177.3
[M]+ 318.08963 175.1
[M]- 318.09073 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.