CID 91799726

Cvt-3248

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC1=C(C(=CC=C1)CO)NC(=O)CN2CCNCC2
InChI
InChI=1S/C14H21N3O2/c1-11-3-2-4-12(10-18)14(11)16-13(19)9-17-7-5-15-6-8-17/h2-4,15,18H,5-10H2,1H3,(H,16,19)
InChIKey
HFQNBAUUNYKQRF-UHFFFAOYSA-N
Compound name
N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 163.4
[M+Na]+ 286.15262 167.0
[M-H]- 262.15612 163.7
[M+NH4]+ 281.19722 175.3
[M+K]+ 302.12656 162.6
[M+H-H2O]+ 246.16066 154.6
[M+HCOO]- 308.16160 178.4
[M+CH3COO]- 322.17725 194.3
[M+Na-2H]- 284.13807 165.5
[M]+ 263.16285 157.0
[M]- 263.16395 157.0
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.