CID 11744564

Iodoaminoflisopolol

Structural Information

Molecular Formula
C19H21IN2O3
SMILES
CC(C)NCC(COC1=CC=CC2=C1C3=CC(=C(C=C3C2=O)N)I)O
InChI
InChI=1S/C19H21IN2O3/c1-10(2)22-8-11(23)9-25-17-5-3-4-12-18(17)13-6-15(20)16(21)7-14(13)19(12)24/h3-7,10-11,22-23H,8-9,21H2,1-2H3
InChIKey
IGJWHBOREVIZCA-UHFFFAOYSA-N
Compound name
2-amino-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

452.0597 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.06698 193.1
[M+Na]+ 475.04892 192.7
[M-H]- 451.05242 189.8
[M+NH4]+ 470.09352 204.2
[M+K]+ 491.02286 194.3
[M+H-H2O]+ 435.05696 182.8
[M+HCOO]- 497.05790 207.6
[M+CH3COO]- 511.07355 225.8
[M+Na-2H]- 473.03437 181.2
[M]+ 452.05915 191.9
[M]- 452.06025 191.9
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

No patent data available for this compound.