CID 212740

Piperidine, 1-(m-(bis(2-chloroethyl)amino)benzoyl)-

Structural Information

Molecular Formula
C16H22Cl2N2O
SMILES
C1CCN(CC1)C(=O)C2=CC(=CC=C2)N(CCCl)CCCl
InChI
InChI=1S/C16H22Cl2N2O/c17-7-11-19(12-8-18)15-6-4-5-14(13-15)16(21)20-9-2-1-3-10-20/h4-6,13H,1-3,7-12H2
InChIKey
IEJBRKRLLHCIRJ-UHFFFAOYSA-N
Compound name
[3-[bis(2-chloroethyl)amino]phenyl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.11093 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.118206 176.2
[M+Na]+ 351.100148 180.2
[M-H]- 327.103654 180.3
[M+NH4]+ 346.144753 189.9
[M+K]+ 367.074088 174.9
[M+H-H2O]+ 311.108190 168.1
[M+HCOO]- 373.109131 185.5
[M+CH3COO]- 387.124781 210.3
[M+Na-2H]- 349.085596 176.6
[M]+ 328.11038142 176.5
[M]- 328.11147858 176.5
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.