CID 3072909

N-(2,6-bis(1-methylethyl)phenyl)-n'-(2-(1-methyl-1h-indol-3-yl)-4-pentenyl)urea

Structural Information

Molecular Formula
C27H35N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(CC=C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C27H35N3O/c1-7-11-20(24-17-30(6)25-15-9-8-12-23(24)25)16-28-27(31)29-26-21(18(2)3)13-10-14-22(26)19(4)5/h7-10,12-15,17-20H,1,11,16H2,2-6H3,(H2,28,29,31)
InChIKey
HFGYLOGJOJIPCK-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)pent-4-enyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.278 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.28528 209.9
[M+Na]+ 440.26722 214.1
[M-H]- 416.27072 215.9
[M+NH4]+ 435.31182 221.2
[M+K]+ 456.24116 208.2
[M+H-H2O]+ 400.27526 200.5
[M+HCOO]- 462.27620 229.0
[M+CH3COO]- 476.29185 237.7
[M+Na-2H]- 438.25267 205.9
[M]+ 417.27745 212.5
[M]- 417.27855 212.5
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.