CID 3072890

Urea, n-(2,6-bis(1-methylethyl)phenyl)-n'-(2-(1h-indol-3-yl)ethyl)-

Structural Information

Molecular Formula
C23H29N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C23H29N3O/c1-15(2)18-9-7-10-19(16(3)4)22(18)26-23(27)24-13-12-17-14-25-21-11-6-5-8-20(17)21/h5-11,14-16,25H,12-13H2,1-4H3,(H2,24,26,27)
InChIKey
FGIOFFUVGJJIRD-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1H-indol-3-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

363.23105 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.238326 192.1
[M+Na]+ 386.220268 196.9
[M-H]- 362.223774 197.1
[M+NH4]+ 381.264873 204.9
[M+K]+ 402.194208 191.0
[M+H-H2O]+ 346.228310 183.3
[M+HCOO]- 408.229251 212.0
[M+CH3COO]- 422.244901 222.3
[M+Na-2H]- 384.205716 191.8
[M]+ 363.23050142 192.5
[M]- 363.23159858 192.5
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

patents stripe