CID 2737187

318280-95-4

Structural Information

Molecular Formula
C13H19N3O
SMILES
CN(C1=CC=CC=C1)C(=O)CN2CCNCC2
InChI
InChI=1S/C13H19N3O/c1-15(12-5-3-2-4-6-12)13(17)11-16-9-7-14-8-10-16/h2-6,14H,7-11H2,1H3
InChIKey
IAZRIFOHJXNFPA-UHFFFAOYSA-N
Compound name
N-methyl-N-phenyl-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

233.15282 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 155.0
[M+Na]+ 256.142038 157.8
[M-H]- 232.145544 157.5
[M+NH4]+ 251.186643 168.9
[M+K]+ 272.115978 155.3
[M+H-H2O]+ 216.150080 145.6
[M+HCOO]- 278.151021 172.2
[M+CH3COO]- 292.166671 192.5
[M+Na-2H]- 254.127486 158.8
[M]+ 233.15227142 149.1
[M]- 233.15336858 149.1
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

patents stripe