CID 3024746

Crl 41242

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CC(C(=O)C1=CC=C(C=C1)NC(=O)C)N2CCN(CC2)C
InChI
InChI=1S/C16H23N3O2/c1-12(19-10-8-18(3)9-11-19)16(21)14-4-6-15(7-5-14)17-13(2)20/h4-7,12H,8-11H2,1-3H3,(H,17,20)
InChIKey
JGSPMRUUFUYDRB-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-methylpiperazin-1-yl)propanoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

289.17902 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.186296 170.1
[M+Na]+ 312.168238 173.5
[M-H]- 288.171744 173.0
[M+NH4]+ 307.212843 182.1
[M+K]+ 328.142178 170.8
[M+H-H2O]+ 272.176280 160.8
[M+HCOO]- 334.177221 185.7
[M+CH3COO]- 348.192871 206.1
[M+Na-2H]- 310.153686 169.8
[M]+ 289.17847142 166.3
[M]- 289.17956858 166.3
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