CID 379317

Nsc663867

Structural Information

Molecular Formula
C27H36N2O
SMILES
C1CCCN(CC1)CCCCCCCNC(=O)C2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H36N2O/c30-27(26-24-16-8-6-14-22(24)23-15-7-9-17-25(23)26)28-18-10-2-1-3-11-19-29-20-12-4-5-13-21-29/h6-9,14-17,26H,1-5,10-13,18-21H2,(H,28,30)
InChIKey
JAGFURZWRSICSB-UHFFFAOYSA-N
Compound name
N-[7-(azepan-1-yl)heptyl]-9H-fluorene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.28278 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.29006 203.3
[M+Na]+ 427.27200 204.1
[M-H]- 403.27550 209.2
[M+NH4]+ 422.31660 215.0
[M+K]+ 443.24594 200.5
[M+H-H2O]+ 387.28004 194.5
[M+HCOO]- 449.28098 218.0
[M+CH3COO]- 463.29663 209.7
[M+Na-2H]- 425.25745 202.2
[M]+ 404.28223 198.3
[M]- 404.28333 198.3
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.