CID 5319820

Norushinsunine

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1CNC2C(C3=CC=CC=C3C4=C2C1=CC5=C4OCO5)O
InChI
InChI=1S/C17H15NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-4,7,15-16,18-19H,5-6,8H2
InChIKey
CKIYSMRPIBQTHQ-UHFFFAOYSA-N
Compound name
3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

281.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 158.1
[M+Na]+ 304.09442 166.0
[M-H]- 280.09792 161.6
[M+NH4]+ 299.13902 174.6
[M+K]+ 320.06836 162.1
[M+H-H2O]+ 264.10246 151.0
[M+HCOO]- 326.10340 168.3
[M+CH3COO]- 340.11905 168.6
[M+Na-2H]- 302.07987 164.8
[M]+ 281.10465 156.6
[M]- 281.10575 156.6
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