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 172.4
[M+Na]+ 324.16824 175.6
[M-H]- 300.17174 179.4
[M+NH4]+ 319.21284 182.5
[M+K]+ 340.14218 174.1
[M+H-H2O]+ 284.17628 162.1
[M+HCOO]- 346.17722 189.4
[M+CH3COO]- 360.19287 181.8
[M+Na-2H]- 322.15369 175.1
[M]+ 301.17847 170.4
[M]- 301.17957 170.4
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