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]+ 289.08690 166.5
[M+Na]+ 311.06884 172.1
[M-H]- 287.07234 171.3
[M+NH4]+ 306.11344 183.9
[M+K]+ 327.04278 168.6
[M+H-H2O]+ 271.07688 160.5
[M+HCOO]- 333.07782 182.6
[M+CH3COO]- 347.09347 209.4
[M+Na-2H]- 309.05429 169.0
[M]+ 288.07907 172.3
[M]- 288.08017 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.