CID 88233

3-[bis(2-chloroethyl)amino]-4-methylbenzamide

Structural Information

Molecular Formula
C12H16Cl2N2O
SMILES
CC1=C(C=C(C=C1)C(=O)N)N(CCCl)CCCl
InChI
InChI=1S/C12H16Cl2N2O/c1-9-2-3-10(12(15)17)8-11(9)16(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H2,15,17)
InChIKey
JEPNDMLVRFWZTG-UHFFFAOYSA-N
Compound name
3-[bis(2-chloroethyl)amino]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.06396 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07124 160.1
[M+Na]+ 297.05318 172.1
[M+NH4]+ 292.09778 168.2
[M+K]+ 313.02712 164.9
[M-H]- 273.05668 162.9
[M+Na-2H]- 295.03863 165.8
[M]+ 274.06341 163.1
[M]- 274.06451 163.1
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.