CID 121848

Ips-339

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC(C)(C)NCC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O
InChI
InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3
InChIKey
DSKDPDQUXBBVRD-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(fluoren-9-ylideneamino)oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

51
Patents

324.18378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 178.5
[M+Na]+ 347.172998 184.1
[M-H]- 323.176504 183.5
[M+NH4]+ 342.217603 196.0
[M+K]+ 363.146938 179.9
[M+H-H2O]+ 307.181040 171.6
[M+HCOO]- 369.181981 199.7
[M+CH3COO]- 383.197631 214.7
[M+Na-2H]- 345.158446 183.9
[M]+ 324.18323142 180.8
[M]- 324.18432858 180.8
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