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

7588
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 172.4
[M+Na]+ 349.13702 174.3
[M-H]- 325.14052 174.9
[M+NH4]+ 344.18162 183.7
[M+K]+ 365.11096 170.4
[M+H-H2O]+ 309.14506 169.3
[M+HCOO]- 371.14600 190.2
[M+CH3COO]- 385.16165 203.8
[M+Na-2H]- 347.12247 177.6
[M]+ 326.14725 172.3
[M]- 326.14835 172.3
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

No patent data available for this compound.