CID 6445782

Cp-461 free base

Structural Information

Molecular Formula
C25H21FN2O
SMILES
CC\1=C(C2=C(/C1=C\C3=CC=NC=C3)C=CC(=C2)F)CC(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C25H21FN2O/c1-17-22(13-18-9-11-27-12-10-18)21-8-7-20(26)14-24(21)23(17)15-25(29)28-16-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,28,29)/b22-13-
InChIKey
NVCAMOJXQVJSOM-XKZIYDEJSA-N
Compound name
N-benzyl-2-[(3Z)-6-fluoro-2-methyl-3-(pyridin-4-ylmethylidene)inden-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

147
Patents

384.1638 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17108 194.8
[M+Na]+ 407.15302 202.2
[M-H]- 383.15652 202.8
[M+NH4]+ 402.19762 207.2
[M+K]+ 423.12696 193.8
[M+H-H2O]+ 367.16106 183.6
[M+HCOO]- 429.16200 215.3
[M+CH3COO]- 443.17765 204.2
[M+Na-2H]- 405.13847 195.2
[M]+ 384.16325 194.0
[M]- 384.16435 194.0
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