CID 57956

100678-35-1

Structural Information

Molecular Formula
C18H20Cl2N2O
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CN(CCCl)CCCl
InChI
InChI=1S/C18H20Cl2N2O/c19-10-12-22(13-11-20)14-15-6-8-17(9-7-15)21-18(23)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,23)
InChIKey
HYJFLCXTLNZXOA-UHFFFAOYSA-N
Compound name
N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.09528 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10256 182.3
[M+Na]+ 373.08450 187.8
[M-H]- 349.08800 188.5
[M+NH4]+ 368.12910 196.4
[M+K]+ 389.05844 181.4
[M+H-H2O]+ 333.09254 174.8
[M+HCOO]- 395.09348 197.6
[M+CH3COO]- 409.10913 217.4
[M+Na-2H]- 371.06995 184.8
[M]+ 350.09473 186.8
[M]- 350.09583 186.8
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.