CID 16072553

Chembl217594

Structural Information

Molecular Formula
C27H30N2O2
SMILES
CN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)C4CC(=O)N(C4)C5CCCCC5
InChI
InChI=1S/C27H30N2O2/c1-28(27(31)21-16-26(30)29(17-21)22-11-3-2-4-12-22)18-25-23-13-7-5-9-19(23)15-20-10-6-8-14-24(20)25/h5-10,13-15,21-22H,2-4,11-12,16-18H2,1H3
InChIKey
IOCGTVRHMUHZQW-UHFFFAOYSA-N
Compound name
N-(anthracen-9-ylmethyl)-1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.23074 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.23802 201.7
[M+Na]+ 437.21996 204.8
[M-H]- 413.22346 211.4
[M+NH4]+ 432.26456 213.6
[M+K]+ 453.19390 198.8
[M+H-H2O]+ 397.22800 190.5
[M+HCOO]- 459.22894 216.9
[M+CH3COO]- 473.24459 209.4
[M+Na-2H]- 435.20541 199.8
[M]+ 414.23019 197.9
[M]- 414.23129 197.9
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

No patent data available for this compound.