CID 7207731

1356931-39-9

Structural Information

Molecular Formula
C24H34N4O2
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)NCCCCCCNC(=O)N[C@@H](C)C2=CC=CC=C2
InChI
InChI=1S/C24H34N4O2/c1-19(21-13-7-5-8-14-21)27-23(29)25-17-11-3-4-12-18-26-24(30)28-20(2)22-15-9-6-10-16-22/h5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3,(H2,25,27,29)(H2,26,28,30)/t19-,20-/m0/s1
InChIKey
OTHUDWXXFBTNND-PMACEKPBSA-N
Compound name
1-[(1S)-1-phenylethyl]-3-[6-[[(1S)-1-phenylethyl]carbamoylamino]hexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2682 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.27548 206.7
[M+Na]+ 433.25742 213.0
[M+NH4]+ 428.30202 211.2
[M+K]+ 449.23136 206.7
[M-H]- 409.26092 210.9
[M+Na-2H]- 431.24287 211.8
[M]+ 410.26765 208.2
[M]- 410.26875 208.2
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.