CID 88912

21447-85-8

Structural Information

Molecular Formula
C14H20Cl2N2O
SMILES
CCNC(=O)C1=CC(=C(C=C1)C)N(CCCl)CCCl
InChI
InChI=1S/C14H20Cl2N2O/c1-3-17-14(19)12-5-4-11(2)13(10-12)18(8-6-15)9-7-16/h4-5,10H,3,6-9H2,1-2H3,(H,17,19)
InChIKey
MEGRETRVTYTRSM-UHFFFAOYSA-N
Compound name
3-[bis(2-chloroethyl)amino]-N-ethyl-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09528 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10256 169.2
[M+Na]+ 325.08450 181.1
[M+NH4]+ 320.12910 177.1
[M+K]+ 341.05844 173.1
[M-H]- 301.08800 172.1
[M+Na-2H]- 323.06995 174.8
[M]+ 302.09473 172.2
[M]- 302.09583 172.2
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.