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

6
Patents

289.17902 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 170.1
[M+Na]+ 312.16824 173.5
[M-H]- 288.17174 173.0
[M+NH4]+ 307.21284 182.1
[M+K]+ 328.14218 170.8
[M+H-H2O]+ 272.17628 160.8
[M+HCOO]- 334.17722 185.7
[M+CH3COO]- 348.19287 206.1
[M+Na-2H]- 310.15369 169.8
[M]+ 289.17847 166.3
[M]- 289.17957 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