CID 3072892

N-(2,6-bis(1-methylethyl)phenyl)-n'-(3-methyl-2-(1-methyl-1h-indol-3-yl)butyl)urea

Structural Information

Molecular Formula
C27H37N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CN(C3=CC=CC=C32)C)C(C)C
InChI
InChI=1S/C27H37N3O/c1-17(2)20-12-10-13-21(18(3)4)26(20)29-27(31)28-15-23(19(5)6)24-16-30(7)25-14-9-8-11-22(24)25/h8-14,16-19,23H,15H2,1-7H3,(H2,28,29,31)
InChIKey
JIXKOEWCARUIAZ-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[3-methyl-2-(1-methylindol-3-yl)butyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.29367 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.300946 210.7
[M+Na]+ 442.282888 214.3
[M-H]- 418.286394 216.8
[M+NH4]+ 437.327493 221.9
[M+K]+ 458.256828 209.7
[M+H-H2O]+ 402.290930 201.5
[M+HCOO]- 464.291871 228.6
[M+CH3COO]- 478.307521 239.4
[M+Na-2H]- 440.268336 205.6
[M]+ 419.29312142 213.5
[M]- 419.29421858 213.5
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.