CID 3070613

Brn 5600788

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1CN(CCN1C2=CC(=NO2)C3=CC=CC=C3)CCC(=O)N
InChI
InChI=1S/C17H22N4O2/c1-13-12-20(8-7-16(18)22)9-10-21(13)17-11-15(19-23-17)14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H2,18,22)
InChIKey
LRXPJJRXCWWFMG-UHFFFAOYSA-N
Compound name
3-[3-methyl-4-(3-phenyl-1,2-oxazol-5-yl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 176.4
[M+Na]+ 337.16352 181.6
[M-H]- 313.16702 181.8
[M+NH4]+ 332.20812 186.1
[M+K]+ 353.13746 178.1
[M+H-H2O]+ 297.17156 165.6
[M+HCOO]- 359.17250 192.6
[M+CH3COO]- 373.18815 185.5
[M+Na-2H]- 335.14897 176.1
[M]+ 314.17375 173.5
[M]- 314.17485 173.5
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.