CID 72006

Nipradilol

Structural Information

Molecular Formula
C15H22N2O6
SMILES
CC(C)NCC(COC1=CC=CC2=C1OCC(C2)O[N+](=O)[O-])O
InChI
InChI=1S/C15H22N2O6/c1-10(2)16-7-12(18)8-21-14-5-3-4-11-6-13(23-17(19)20)9-22-15(11)14/h3-5,10,12-13,16,18H,6-9H2,1-2H3
InChIKey
OMCPLEZZPVJJIS-UHFFFAOYSA-N
Compound name
[8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromen-3-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

145
References

7452
Patents

326.1478 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15508 172.3
[M+Na]+ 349.13702 181.2
[M+NH4]+ 344.18162 177.8
[M+K]+ 365.11096 180.3
[M-H]- 325.14052 175.3
[M+Na-2H]- 347.12247 173.7
[M]+ 326.14725 173.9
[M]- 326.14835 173.9
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

patents stripe