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

56
Patents

324.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 177.5
[M+Na]+ 347.172998 182.7
[M-H]- 323.176504 181.7
[M+NH4]+ 342.217603 194.7
[M+K]+ 363.146938 177.6
[M+H-H2O]+ 307.181040 169.9
[M+HCOO]- 369.181981 199.8
[M+CH3COO]- 383.197631 213.7
[M+Na-2H]- 345.158446 181.0
[M]+ 324.18323142 179.3
[M]- 324.18432858 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