CID 3072927

145131-53-9

Structural Information

Molecular Formula
C28H37N3O3
SMILES
CC(C)OC1=C(C(=CC=C1)OC(C)C)NC(=O)NCC2(CCCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C28H37N3O3/c1-19(2)33-24-13-10-14-25(34-20(3)4)26(24)30-27(32)29-18-28(15-8-9-16-28)22-17-31(5)23-12-7-6-11-21(22)23/h6-7,10-14,17,19-20H,8-9,15-16,18H2,1-5H3,(H2,29,30,32)
InChIKey
CCMPMRJQRHUYCX-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yloxy)phenyl]-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.28348 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.29076 215.4
[M+Na]+ 486.27270 224.5
[M+NH4]+ 481.31730 222.6
[M+K]+ 502.24664 219.8
[M-H]- 462.27620 220.5
[M+Na-2H]- 484.25815 221.7
[M]+ 463.28293 218.0
[M]- 463.28403 218.0
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.