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]+ 392.233256 196.6
[M+Na]+ 414.215198 198.1
[M-H]- 390.218704 207.3
[M+NH4]+ 409.259803 202.8
[M+K]+ 430.189138 196.0
[M+H-H2O]+ 374.223240 184.3
[M+HCOO]- 436.224181 212.8
[M+CH3COO]- 450.239831 204.4
[M+Na-2H]- 412.200646 196.9
[M]+ 391.22543142 195.4
[M]- 391.22652858 195.4
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

No patent data available for this compound.