CID 207649

30380-59-7

Structural Information

Molecular Formula
C26H37N3O
SMILES
CCN(CC)C(=O)N(CCC1=CC=CC=C1)CC2CCN(C2)CCC3=CC=CC=C3
InChI
InChI=1S/C26H37N3O/c1-3-28(4-2)26(30)29(20-17-24-13-9-6-10-14-24)22-25-16-19-27(21-25)18-15-23-11-7-5-8-12-23/h5-14,25H,3-4,15-22H2,1-2H3
InChIKey
MEHQXSOURNVYTF-UHFFFAOYSA-N
Compound name
1,1-diethyl-3-(2-phenylethyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.29367 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.30095 206.2
[M+Na]+ 430.28289 205.9
[M-H]- 406.28639 215.0
[M+NH4]+ 425.32749 216.9
[M+K]+ 446.25683 202.2
[M+H-H2O]+ 390.29093 194.4
[M+HCOO]- 452.29187 226.8
[M+CH3COO]- 466.30752 234.9
[M+Na-2H]- 428.26834 203.3
[M]+ 407.29312 206.5
[M]- 407.29422 206.5
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.