CID 496658

Nsc697121

Structural Information

Molecular Formula
C18H23NO5
SMILES
CC1=C2C(=C(C(=C1O)O)C(C)CCC=C(C)C)OC(=N2)C(=O)OC
InChI
InChI=1S/C18H23NO5/c1-9(2)7-6-8-10(3)12-15(21)14(20)11(4)13-16(12)24-17(19-13)18(22)23-5/h7,10,20-21H,6,8H2,1-5H3
InChIKey
AKNYPXDXJCERQG-UHFFFAOYSA-N
Compound name
methyl 5,6-dihydroxy-4-methyl-7-(6-methylhept-5-en-2-yl)-1,3-benzoxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15762 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16490 179.3
[M+Na]+ 356.14684 188.1
[M-H]- 332.15034 181.5
[M+NH4]+ 351.19144 192.9
[M+K]+ 372.12078 185.9
[M+H-H2O]+ 316.15488 173.2
[M+HCOO]- 378.15582 195.9
[M+CH3COO]- 392.17147 209.6
[M+Na-2H]- 354.13229 177.4
[M]+ 333.15707 186.5
[M]- 333.15817 186.5
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.