CID 170169880

Schembl26129081

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCC(=O)CC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O
InChI
InChI=1S/C18H29NO3/c1-4-16(20)13-11-9-7-5-6-8-10-12-14-17(21)19-15-18(2,3)22/h7-10,12,14,22H,4-6,11,13,15H2,1-3H3,(H,19,21)/b9-7-,10-8+,14-12+
InChIKey
VBPJOLZEHVDXMU-RLMPMMINSA-N
Compound name
(2E,4E,8Z)-N-(2-hydroxy-2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.21475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 180.3
[M+Na]+ 330.20397 182.9
[M-H]- 306.20747 177.5
[M+NH4]+ 325.24857 194.2
[M+K]+ 346.17791 178.5
[M+H-H2O]+ 290.21201 174.3
[M+HCOO]- 352.21295 197.9
[M+CH3COO]- 366.22860 206.4
[M+Na-2H]- 328.18942 179.3
[M]+ 307.21420 182.1
[M]- 307.21530 182.1
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

patents stripe