CID 3072888

145131-14-2

Structural Information

Molecular Formula
C35H43N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N(CC2=CC=CC=C2)CC3(CCCC3)C4=CN(C5=CC=CC=C54)C
InChI
InChI=1S/C35H43N3O/c1-25(2)28-17-13-18-29(26(3)4)33(28)36-34(39)38(22-27-14-7-6-8-15-27)24-35(20-11-12-21-35)31-23-37(5)32-19-10-9-16-30(31)32/h6-10,13-19,23,25-26H,11-12,20-22,24H2,1-5H3,(H,36,39)
InChIKey
PCQBYSWBCLMONO-UHFFFAOYSA-N
Compound name
1-benzyl-3-[2,6-di(propan-2-yl)phenyl]-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.34064 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.34792 233.8
[M+Na]+ 544.32986 245.4
[M+NH4]+ 539.37446 242.3
[M+K]+ 560.30380 238.1
[M-H]- 520.33336 242.7
[M+Na-2H]- 542.31531 243.1
[M]+ 521.34009 238.1
[M]- 521.34119 238.1
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.