CID 3072894

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

Structural Information

Molecular Formula
C25H33N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C25H33N3O/c1-16(2)19-11-9-12-20(17(3)4)24(19)27-25(29)26-14-18(5)22-15-28(6)23-13-8-7-10-21(22)23/h7-13,15-18H,14H2,1-6H3,(H2,26,27,29)
InChIKey
IPOXLXABVMVXRQ-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.26236 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.26964 201.0
[M+Na]+ 414.25158 212.2
[M+NH4]+ 409.29618 207.5
[M+K]+ 430.22552 207.0
[M-H]- 390.25508 205.4
[M+Na-2H]- 412.23703 206.2
[M]+ 391.26181 203.7
[M]- 391.26291 203.7
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.