CID 3060235

77869-81-9

Structural Information

Molecular Formula
C23H31N3O
SMILES
CCC(=O)N(CCN1CCCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H31N3O/c1-2-23(27)26(22-12-7-4-8-13-22)19-18-25-16-9-15-24(20-25)17-14-21-10-5-3-6-11-21/h3-8,10-13H,2,9,14-20H2,1H3
InChIKey
NUJHHOPPUQXSTI-UHFFFAOYSA-N
Compound name
N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2467 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.25398 193.3
[M+Na]+ 388.23592 205.6
[M+NH4]+ 383.28052 200.5
[M+K]+ 404.20986 196.8
[M-H]- 364.23942 199.3
[M+Na-2H]- 386.22137 202.0
[M]+ 365.24615 196.7
[M]- 365.24725 196.7
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.