CID 2738575

Ssaa09e2

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=NO3
InChI
InChI=1S/C16H20N4O2/c1-19-8-10-20(11-9-19)14-4-2-13(3-5-14)12-17-16(21)15-6-7-18-22-15/h2-7H,8-12H2,1H3,(H,17,21)
InChIKey
OMRXBNSVRJWWAZ-UHFFFAOYSA-N
Compound name
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

66
Patents

300.15863 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 171.0
[M+Na]+ 323.14785 175.8
[M-H]- 299.15135 176.7
[M+NH4]+ 318.19245 181.4
[M+K]+ 339.12179 172.9
[M+H-H2O]+ 283.15589 160.1
[M+HCOO]- 345.15683 188.2
[M+CH3COO]- 359.17248 180.5
[M+Na-2H]- 321.13330 173.0
[M]+ 300.15808 168.3
[M]- 300.15918 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe