CID 460422

(2s)-2-acetamido-n-benzyl-6-(benzylamino)hexanamide

Structural Information

Molecular Formula
C22H29N3O2
SMILES
CC(=O)N[C@@H](CCCCNCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C22H29N3O2/c1-18(26)25-21(22(27)24-17-20-12-6-3-7-13-20)14-8-9-15-23-16-19-10-4-2-5-11-19/h2-7,10-13,21,23H,8-9,14-17H2,1H3,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKey
DYIBVFCKZKUGRF-NRFANRHFSA-N
Compound name
(2S)-2-acetamido-N-benzyl-6-(benzylamino)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.22598 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23326 192.0
[M+Na]+ 390.21520 192.0
[M-H]- 366.21870 196.7
[M+NH4]+ 385.25980 202.3
[M+K]+ 406.18914 187.9
[M+H-H2O]+ 350.22324 181.9
[M+HCOO]- 412.22418 214.4
[M+CH3COO]- 426.23983 224.7
[M+Na-2H]- 388.20065 193.5
[M]+ 367.22543 191.0
[M]- 367.22653 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.