CID 3072899

145131-25-5

Structural Information

Molecular Formula
C29H39N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C29H39N3O/c1-20(2)22-13-11-14-23(21(3)4)27(22)31-28(33)30-19-29(16-9-6-10-17-29)25-18-32(5)26-15-8-7-12-24(25)26/h7-8,11-15,18,20-21H,6,9-10,16-17,19H2,1-5H3,(H2,30,31,33)
InChIKey
YIZUGMRAJJBEBN-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methylindol-3-yl)cyclohexyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.30933 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.31661 214.1
[M+Na]+ 468.29855 216.7
[M-H]- 444.30205 222.2
[M+NH4]+ 463.34315 225.6
[M+K]+ 484.27249 210.8
[M+H-H2O]+ 428.30659 203.8
[M+HCOO]- 490.30753 230.3
[M+CH3COO]- 504.32318 240.0
[M+Na-2H]- 466.28400 210.9
[M]+ 445.30878 212.1
[M]- 445.30988 212.1
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.