CID 59797

103785-34-8

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]+ 376.238326 191.9
[M+Na]+ 398.220268 194.1
[M-H]- 374.223774 202.8
[M+NH4]+ 393.264873 202.2
[M+K]+ 414.194208 190.7
[M+H-H2O]+ 358.228310 180.5
[M+HCOO]- 420.229251 211.3
[M+CH3COO]- 434.244901 200.6
[M+Na-2H]- 396.205716 190.0
[M]+ 375.23050142 191.2
[M]- 375.23159858 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.