CID 18415

Brn 2820301

Structural Information

Molecular Formula
C14H19Cl2N3O2
SMILES
CC(=O)NCC(=O)NC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C14H19Cl2N3O2/c1-11(20)17-10-14(21)18-12-2-4-13(5-3-12)19(8-6-15)9-7-16/h2-5H,6-10H2,1H3,(H,17,20)(H,18,21)
InChIKey
IZWJPQAMNXCPNA-UHFFFAOYSA-N
Compound name
2-acetamido-N-[4-[bis(2-chloroethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09270 177.1
[M+Na]+ 354.07464 182.2
[M-H]- 330.07814 180.8
[M+NH4]+ 349.11924 192.0
[M+K]+ 370.04858 177.8
[M+H-H2O]+ 314.08268 171.1
[M+HCOO]- 376.08362 193.0
[M+CH3COO]- 390.09927 216.4
[M+Na-2H]- 352.06009 178.3
[M]+ 331.08487 181.7
[M]- 331.08597 181.7
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.