CID 3072917

Urea, n-(2,6-bis(1-methylethyl)phenyl)-n'-((1-(1-methyl-1h-indol-3-yl)cycloheptyl)methyl)-

Structural Information

Molecular Formula
C30H41N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCCCC2)C3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C30H41N3O/c1-21(2)23-14-12-15-24(22(3)4)28(23)32-29(34)31-20-30(17-10-6-7-11-18-30)26-19-33(5)27-16-9-8-13-25(26)27/h8-9,12-16,19,21-22H,6-7,10-11,17-18,20H2,1-5H3,(H2,31,32,34)
InChIKey
VJXKPFXJTRCVED-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(1-methylindol-3-yl)cycloheptyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.32495 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.33223 219.3
[M+Na]+ 482.31417 221.0
[M-H]- 458.31767 228.6
[M+NH4]+ 477.35877 229.8
[M+K]+ 498.28811 219.4
[M+H-H2O]+ 442.32221 209.8
[M+HCOO]- 504.32315 234.9
[M+CH3COO]- 518.33880 225.5
[M+Na-2H]- 480.29962 215.3
[M]+ 459.32440 214.8
[M]- 459.32550 214.8
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.