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]+ 364.23833 192.1
[M+Na]+ 386.22027 196.9
[M-H]- 362.22377 197.1
[M+NH4]+ 381.26487 204.9
[M+K]+ 402.19421 191.0
[M+H-H2O]+ 346.22831 183.3
[M+HCOO]- 408.22925 212.0
[M+CH3COO]- 422.24490 222.3
[M+Na-2H]- 384.20572 191.8
[M]+ 363.23050 192.5
[M]- 363.23160 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