CID 3072914

145131-40-4

Structural Information

Molecular Formula
C29H41N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(CC(C)(C)C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C29H41N3O/c1-19(2)22-13-11-14-23(20(3)4)27(22)31-28(33)30-17-21(16-29(5,6)7)25-18-32(8)26-15-10-9-12-24(25)26/h9-15,18-21H,16-17H2,1-8H3,(H2,30,31,33)
InChIKey
DSWRKCFPVLIQET-UHFFFAOYSA-N
Compound name
1-[4,4-dimethyl-2-(1-methylindol-3-yl)pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.32495 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.33223 219.1
[M+Na]+ 470.31417 222.5
[M-H]- 446.31767 225.1
[M+NH4]+ 465.35877 229.5
[M+K]+ 486.28811 217.7
[M+H-H2O]+ 430.32221 210.1
[M+HCOO]- 492.32315 235.7
[M+CH3COO]- 506.33880 244.1
[M+Na-2H]- 468.29962 215.3
[M]+ 447.32440 222.5
[M]- 447.32550 222.5
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.