CID 15487106

Schembl237672

Structural Information

Molecular Formula
C18H26NO3
SMILES
CC[N+](C)(CC)CCC1=C(C2=C(C=C(C=C2)OC)OC1=O)C
InChI
InChI=1S/C18H26NO3/c1-6-19(4,7-2)11-10-16-13(3)15-9-8-14(21-5)12-17(15)22-18(16)20/h8-9,12H,6-7,10-11H2,1-5H3/q+1
InChIKey
IWAUXKQGXMTXLR-UHFFFAOYSA-N
Compound name
diethyl-[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

341
Patents

304.19125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19853 171.9
[M+Na]+ 327.18047 180.5
[M-H]- 303.18397 179.1
[M+NH4]+ 322.22507 188.0
[M+K]+ 343.15441 173.4
[M+H-H2O]+ 287.18851 167.7
[M+HCOO]- 349.18945 193.6
[M+CH3COO]- 363.20510 206.9
[M+Na-2H]- 325.16592 180.8
[M]+ 304.19070 178.5
[M]- 304.19180 178.5
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.