CID 3072922

Urea, n-((1-(1-methyl-1h-indol-3-yl)cyclopentyl)methyl)-n'-(2,4,6-trimethoxyphenyl)-

Structural Information

Molecular Formula
C25H31N3O4
SMILES
CN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=C(C=C(C=C4OC)OC)OC
InChI
InChI=1S/C25H31N3O4/c1-28-15-19(18-9-5-6-10-20(18)28)25(11-7-8-12-25)16-26-24(29)27-23-21(31-3)13-17(30-2)14-22(23)32-4/h5-6,9-10,13-15H,7-8,11-12,16H2,1-4H3,(H2,26,27,29)
InChIKey
FRBMQSZUSQXBQY-UHFFFAOYSA-N
Compound name
1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]-3-(2,4,6-trimethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.23145 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.23873 203.9
[M+Na]+ 460.22067 210.0
[M-H]- 436.22417 214.0
[M+NH4]+ 455.26527 218.0
[M+K]+ 476.19461 206.1
[M+H-H2O]+ 420.22871 195.0
[M+HCOO]- 482.22965 226.4
[M+CH3COO]- 496.24530 233.7
[M+Na-2H]- 458.20612 203.7
[M]+ 437.23090 208.9
[M]- 437.23200 208.9
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.