CID 7207731

Urea, n,n''-1,6-hexanediylbis(n'-((1s)-1-phenylethyl)-

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
2
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 204.2
[M+Na]+ 433.25742 202.3
[M-H]- 409.26092 208.6
[M+NH4]+ 428.30202 212.4
[M+K]+ 449.23136 198.8
[M+H-H2O]+ 393.26546 193.5
[M+HCOO]- 455.26640 226.0
[M+CH3COO]- 469.28205 235.5
[M+Na-2H]- 431.24287 204.0
[M]+ 410.26765 202.5
[M]- 410.26875 202.5
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.