CID 59797

3-phenyl-n-(phenylmethyl)-n-(3-(1-pyrrolidinyl)butyl)-5-isoxazolamine fumarate

Structural Information

Molecular Formula
C24H29N3O
SMILES
CC(CCN(CC1=CC=CC=C1)C2=CC(=NO2)C3=CC=CC=C3)N4CCCC4
InChI
InChI=1S/C24H29N3O/c1-20(26-15-8-9-16-26)14-17-27(19-21-10-4-2-5-11-21)24-18-23(25-28-24)22-12-6-3-7-13-22/h2-7,10-13,18,20H,8-9,14-17,19H2,1H3
InChIKey
WNWSOSSVFFYJBZ-UHFFFAOYSA-N
Compound name
N-benzyl-3-phenyl-N-(3-pyrrolidin-1-ylbutyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 191.9
[M+Na]+ 398.22027 194.1
[M-H]- 374.22377 202.8
[M+NH4]+ 393.26487 202.2
[M+K]+ 414.19421 190.7
[M+H-H2O]+ 358.22831 180.5
[M+HCOO]- 420.22925 211.3
[M+CH3COO]- 434.24490 200.6
[M+Na-2H]- 396.20572 190.0
[M]+ 375.23050 191.2
[M]- 375.23160 191.2
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.