CID 86273678

Cumyl-pica

Structural Information

Molecular Formula
C23H28N2O
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC(C)(C)C3=CC=CC=C3
InChI
InChI=1S/C23H28N2O/c1-4-5-11-16-25-17-20(19-14-9-10-15-21(19)25)22(26)24-23(2,3)18-12-7-6-8-13-18/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,24,26)
InChIKey
RCXFMWJQOYCIQU-UHFFFAOYSA-N
Compound name
1-pentyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

348.22015 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.227426 189.0
[M+Na]+ 371.209368 195.2
[M-H]- 347.212874 195.0
[M+NH4]+ 366.253973 203.3
[M+K]+ 387.183308 189.3
[M+H-H2O]+ 331.217410 180.1
[M+HCOO]- 393.218351 209.7
[M+CH3COO]- 407.234001 217.6
[M+Na-2H]- 369.194816 192.2
[M]+ 348.21960142 192.2
[M]- 348.22069858 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe