CID 3072905

145131-31-3

Structural Information

Molecular Formula
C30H39N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(CC=C)(CC=C)C2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C30H39N3O/c1-8-17-30(18-9-2,26-19-33(7)27-16-11-10-13-25(26)27)20-31-29(34)32-28-23(21(3)4)14-12-15-24(28)22(5)6/h8-16,19,21-22H,1-2,17-18,20H2,3-7H3,(H2,31,32,34)
InChIKey
MGIWDILGMRSILY-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)-2-prop-2-enylpent-4-enyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.30933 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.31661 220.5
[M+Na]+ 480.29855 230.7
[M+NH4]+ 475.34315 225.5
[M+K]+ 496.27249 224.7
[M-H]- 456.30205 223.8
[M+Na-2H]- 478.28400 224.6
[M]+ 457.30878 222.7
[M]- 457.30988 222.7
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.