CID 3070625

Brn 5646940

Structural Information

Molecular Formula
C24H29N3O2
SMILES
CC(CCN1CCOCC1)N(CC2=CC=CC=C2)C3=CC(=NO3)C4=CC=CC=C4
InChI
InChI=1S/C24H29N3O2/c1-20(12-13-26-14-16-28-17-15-26)27(19-21-8-4-2-5-9-21)24-18-23(25-29-24)22-10-6-3-7-11-22/h2-11,18,20H,12-17,19H2,1H3
InChIKey
XEDKHFAWHPAIEH-UHFFFAOYSA-N
Compound name
N-benzyl-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

391.22598 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.23326 197.5
[M+Na]+ 414.21520 210.8
[M+NH4]+ 409.25980 204.8
[M+K]+ 430.18914 204.9
[M-H]- 390.21870 207.6
[M+Na-2H]- 412.20065 206.6
[M]+ 391.22543 202.3
[M]- 391.22653 202.3
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.