CID 97622

Lanuginosine

Structural Information

Molecular Formula
C18H11NO4
SMILES
COC1=CC2=C(C=C1)C3=C4C(=CC5=C3OCO5)C=CN=C4C2=O
InChI
InChI=1S/C18H11NO4/c1-21-10-2-3-11-12(7-10)17(20)16-14-9(4-5-19-16)6-13-18(15(11)14)23-8-22-13/h2-7H,8H2,1H3
InChIKey
WLXLLQQGGGHOMA-UHFFFAOYSA-N
Compound name
16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

305.06882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07610 164.5
[M+Na]+ 328.05804 175.6
[M-H]- 304.06154 171.7
[M+NH4]+ 323.10264 181.6
[M+K]+ 344.03198 173.1
[M+H-H2O]+ 288.06608 156.6
[M+HCOO]- 350.06702 180.4
[M+CH3COO]- 364.08267 177.0
[M+Na-2H]- 326.04349 172.5
[M]+ 305.06827 170.6
[M]- 305.06937 170.6
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