CID 3072926

145131-52-8

Structural Information

Molecular Formula
C29H39N3O
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/C29H39N3O/c1-19(2)15-16-22(26-18-32(7)27-14-9-8-11-25(26)27)17-30-29(33)31-28-23(20(3)4)12-10-13-24(28)21(5)6/h8-15,18,20-22H,16-17H2,1-7H3,(H2,30,31,33)
InChIKey
ZIXVJZYHUWFENA-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[5-methyl-2-(1-methylindol-3-yl)hex-4-enyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.30933 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.31661 218.9
[M+Na]+ 468.29855 222.0
[M-H]- 444.30205 224.7
[M+NH4]+ 463.34315 229.1
[M+K]+ 484.27249 216.4
[M+H-H2O]+ 428.30659 209.5
[M+HCOO]- 490.30753 236.3
[M+CH3COO]- 504.32318 243.8
[M+Na-2H]- 466.28400 212.8
[M]+ 445.30878 221.5
[M]- 445.30988 221.5
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.