CID 74894

4-[bis(2-chloroethyl)amino]benzamide

Structural Information

Molecular Formula
C11H14Cl2N2O
SMILES
C1=CC(=CC=C1C(=O)N)N(CCCl)CCCl
InChI
InChI=1S/C11H14Cl2N2O/c12-5-7-15(8-6-13)10-3-1-9(2-4-10)11(14)16/h1-4H,5-8H2,(H2,14,16)
InChIKey
ZNHHOAIGZOAPLA-UHFFFAOYSA-N
Compound name
4-[bis(2-chloroethyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

260.0483 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05558 157.2
[M+Na]+ 283.03752 164.2
[M-H]- 259.04102 160.6
[M+NH4]+ 278.08212 175.0
[M+K]+ 299.01146 159.5
[M+H-H2O]+ 243.04556 152.0
[M+HCOO]- 305.04650 172.8
[M+CH3COO]- 319.06215 201.2
[M+Na-2H]- 281.02297 159.7
[M]+ 260.04775 160.3
[M]- 260.04885 160.3
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

patents stripe