CID 135568463

Brn 4192696

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCCCCC1=CC(=C2C(=NCCO)CC(OC2=C1)(C)C)O
InChI
InChI=1S/C18H27NO3/c1-4-5-6-7-13-10-15(21)17-14(19-8-9-20)12-18(2,3)22-16(17)11-13/h10-11,20-21H,4-9,12H2,1-3H3
InChIKey
OOVUWIIHRLRJBQ-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylimino)-2,2-dimethyl-7-pentyl-3H-chromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

305.1991 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 174.1
[M+Na]+ 328.18832 180.7
[M-H]- 304.19182 177.5
[M+NH4]+ 323.23292 190.6
[M+K]+ 344.16226 177.8
[M+H-H2O]+ 288.19636 167.7
[M+HCOO]- 350.19730 191.9
[M+CH3COO]- 364.21295 208.1
[M+Na-2H]- 326.17377 178.1
[M]+ 305.19855 176.6
[M]- 305.19965 176.6
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