CID 5275498

2-(4-methylpiperazin-1-yl)-n-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4O2/c1-23-9-11-24(12-10-23)14-19(25)21-16-7-8-18-17(13-16)22-20(26-18)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25)
InChIKey
HANBXWBXMGPOEC-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 183.6
[M+Na]+ 373.16352 189.8
[M-H]- 349.16702 190.5
[M+NH4]+ 368.20812 192.9
[M+K]+ 389.13746 185.1
[M+H-H2O]+ 333.17156 172.1
[M+HCOO]- 395.17250 200.4
[M+CH3COO]- 409.18815 192.7
[M+Na-2H]- 371.14897 186.5
[M]+ 350.17375 182.7
[M]- 350.17485 182.7
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

No patent data available for this compound.