CID 15344

1603-09-4

Structural Information

Molecular Formula
C13H18Cl2N2O
SMILES
CN(C1=CC=CC=C1)C(=O)CN(CCCl)CCCl
InChI
InChI=1S/C13H18Cl2N2O/c1-16(12-5-3-2-4-6-12)13(18)11-17(9-7-14)10-8-15/h2-6H,7-11H2,1H3
InChIKey
DCYOHOPBPIZKLC-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07962 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.086896 166.5
[M+Na]+ 311.068838 172.1
[M-H]- 287.072344 171.3
[M+NH4]+ 306.113443 183.9
[M+K]+ 327.042778 168.6
[M+H-H2O]+ 271.076880 160.5
[M+HCOO]- 333.077821 182.6
[M+CH3COO]- 347.093471 209.4
[M+Na-2H]- 309.054286 169.0
[M]+ 288.07907142 172.3
[M]- 288.08016858 172.3
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.