CID 3072898

145131-24-4

Structural Information

Molecular Formula
C29H39N3O
SMILES
CC1=CC2=C(C=C1)N(C=C2C3(CCCC3)CNC(=O)NC4=C(C=CC=C4C(C)C)C(C)C)C
InChI
InChI=1S/C29H39N3O/c1-19(2)22-10-9-11-23(20(3)4)27(22)31-28(33)30-18-29(14-7-8-15-29)25-17-32(6)26-13-12-21(5)16-24(25)26/h9-13,16-17,19-20H,7-8,14-15,18H2,1-6H3,(H2,30,31,33)
InChIKey
HDTNBIUCVVCIQG-UHFFFAOYSA-N
Compound name
1-[[1-(1,5-dimethylindol-3-yl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.30933 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.31661 214.2
[M+Na]+ 468.29855 224.5
[M+NH4]+ 463.34315 222.5
[M+K]+ 484.27249 218.7
[M-H]- 444.30205 220.3
[M+Na-2H]- 466.28400 220.8
[M]+ 445.30878 217.5
[M]- 445.30988 217.5
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.