CID 3070624

Brn 5756628

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC(CCN1CCOCC1)NC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C17H23N3O2/c1-14(7-8-20-9-11-21-12-10-20)18-17-13-16(19-22-17)15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3
InChIKey
JFCPPRNYYLXIGH-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.17902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 173.3
[M+Na]+ 324.16824 184.9
[M+NH4]+ 319.21284 180.4
[M+K]+ 340.14218 180.6
[M-H]- 300.17174 180.6
[M+Na-2H]- 322.15369 179.9
[M]+ 301.17847 176.9
[M]- 301.17957 176.9
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.