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]+ 329.11821 176.2
[M+Na]+ 351.10015 180.2
[M-H]- 327.10365 180.3
[M+NH4]+ 346.14475 189.9
[M+K]+ 367.07409 174.9
[M+H-H2O]+ 311.10819 168.1
[M+HCOO]- 373.10913 185.5
[M+CH3COO]- 387.12478 210.3
[M+Na-2H]- 349.08560 176.6
[M]+ 328.11038 176.5
[M]- 328.11148 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.