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 196.6
[M+Na]+ 414.21520 198.1
[M-H]- 390.21870 207.3
[M+NH4]+ 409.25980 202.8
[M+K]+ 430.18914 196.0
[M+H-H2O]+ 374.22324 184.3
[M+HCOO]- 436.22418 212.8
[M+CH3COO]- 450.23983 204.4
[M+Na-2H]- 412.20065 196.9
[M]+ 391.22543 195.4
[M]- 391.22653 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.