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]+ 312.232176 181.0
[M+Na]+ 334.214118 189.2
[M-H]- 310.217624 184.8
[M+NH4]+ 329.258723 193.9
[M+K]+ 350.188058 182.5
[M+H-H2O]+ 294.222160 173.2
[M+HCOO]- 356.223101 192.2
[M+CH3COO]- 370.238751 189.7
[M+Na-2H]- 332.199566 182.7
[M]+ 311.22435142 181.2
[M]- 311.22544858 181.2
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.