CID 7131771

2-chloro-n-({4-[(dimethylamino)methyl]phenyl}methyl)acetamide hydrochloride

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
CN(C)CC1=CC=C(C=C1)CNC(=O)CCl
InChI
InChI=1S/C12H17ClN2O/c1-15(2)9-11-5-3-10(4-6-11)8-14-12(16)7-13/h3-6H,7-9H2,1-2H3,(H,14,16)
InChIKey
PZELJCNMOBICCQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[[4-[(dimethylamino)methyl]phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.10294 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.110216 155.4
[M+Na]+ 263.092158 161.8
[M-H]- 239.095664 160.0
[M+NH4]+ 258.136763 174.1
[M+K]+ 279.066098 158.7
[M+H-H2O]+ 223.100200 149.3
[M+HCOO]- 285.101141 176.4
[M+CH3COO]- 299.116791 199.8
[M+Na-2H]- 261.077606 159.3
[M]+ 240.10239142 158.7
[M]- 240.10348858 158.7
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.