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]+ 366.253976 192.5
[M+Na]+ 388.235918 193.3
[M-H]- 364.239424 198.3
[M+NH4]+ 383.280523 201.1
[M+K]+ 404.209858 188.5
[M+H-H2O]+ 348.243960 180.0
[M+HCOO]- 410.244901 208.9
[M+CH3COO]- 424.260551 221.8
[M+Na-2H]- 386.221366 193.2
[M]+ 365.24615142 189.4
[M]- 365.24724858 189.4
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.