CID 191041

Um 747

Structural Information

Molecular Formula
C21H29NO
SMILES
CCC1C2CC3=C(C1(CCN2CC4CC4=C)CC)C=C(C=C3)O
InChI
InChI=1S/C21H29NO/c1-4-18-20-11-15-6-7-17(23)12-19(15)21(18,5-2)8-9-22(20)13-16-10-14(16)3/h6-7,12,16,18,20,23H,3-5,8-11,13H2,1-2H3
InChIKey
ARAVIORJOLQLBY-UHFFFAOYSA-N
Compound name
1,13-diethyl-10-[(2-methylidenecyclopropyl)methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 176.6
[M+Na]+ 334.21412 191.1
[M+NH4]+ 329.25872 187.9
[M+K]+ 350.18806 181.7
[M-H]- 310.21762 187.2
[M+Na-2H]- 332.19957 183.3
[M]+ 311.22435 183.1
[M]- 311.22545 183.1
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

No patent data available for this compound.