CID 2729672

352351-57-6

Structural Information

Molecular Formula
C20H24N2O2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCN
InChI
InChI=1S/C20H24N2O2/c21-12-6-1-7-13-22-20(23)24-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,1,6-7,12-14,21H2,(H,22,23)
InChIKey
QOTXSWQISHLYHE-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(5-aminopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

324.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 177.5
[M+Na]+ 347.17300 182.7
[M-H]- 323.17650 181.7
[M+NH4]+ 342.21760 194.7
[M+K]+ 363.14694 177.6
[M+H-H2O]+ 307.18104 169.9
[M+HCOO]- 369.18198 199.8
[M+CH3COO]- 383.19763 213.7
[M+Na-2H]- 345.15845 181.0
[M]+ 324.18323 179.3
[M]- 324.18433 179.3
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

patents stripe