CID 24838793

97669-58-4

Structural Information

Molecular Formula
C26H33N5O3
SMILES
CCC(=O)N1C2CCC1CN(C2)CC/C(=N/NC(=O)NC3=CC=C(C=C3)OC)/C4=CC=CC=C4
InChI
InChI=1S/C26H33N5O3/c1-3-25(32)31-21-11-12-22(31)18-30(17-21)16-15-24(19-7-5-4-6-8-19)28-29-26(33)27-20-9-13-23(34-2)14-10-20/h4-10,13-14,21-22H,3,11-12,15-18H2,1-2H3,(H2,27,29,33)/b28-24-
InChIKey
RHUROWIAOSPQOC-COOPMVRXSA-N
Compound name
1-(4-methoxyphenyl)-3-[(Z)-[1-phenyl-3-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.25833 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.26561 212.8
[M+Na]+ 486.24755 220.2
[M+NH4]+ 481.29215 217.6
[M+K]+ 502.22149 215.9
[M-H]- 462.25105 216.7
[M+Na-2H]- 484.23300 216.2
[M]+ 463.25778 214.3
[M]- 463.25888 214.3
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.