CID 10386173

Hermitamide b

Structural Information

Molecular Formula
C25H38N2O2
SMILES
CCCCCCC[C@@H](C/C=C/CCC(=O)NCCC1=CNC2=CC=CC=C21)OC
InChI
InChI=1S/C25H38N2O2/c1-3-4-5-6-8-13-22(29-2)14-9-7-10-17-25(28)26-19-18-21-20-27-24-16-12-11-15-23(21)24/h7,9,11-12,15-16,20,22,27H,3-6,8,10,13-14,17-19H2,1-2H3,(H,26,28)/b9-7+/t22-/m0/s1
InChIKey
OHYDYQKPXIXRBQ-GLJAUCNMSA-N
Compound name
(E,7S)-N-[2-(1H-indol-3-yl)ethyl]-7-methoxytetradec-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

398.29333 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.30061 206.3
[M+Na]+ 421.28255 208.4
[M-H]- 397.28605 206.0
[M+NH4]+ 416.32715 217.7
[M+K]+ 437.25649 201.8
[M+H-H2O]+ 381.29059 197.0
[M+HCOO]- 443.29153 224.4
[M+CH3COO]- 457.30718 225.0
[M+Na-2H]- 419.26800 204.4
[M]+ 398.29278 211.0
[M]- 398.29388 211.0
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