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 181.0
[M+Na]+ 334.21412 189.2
[M-H]- 310.21762 184.8
[M+NH4]+ 329.25872 193.9
[M+K]+ 350.18806 182.5
[M+H-H2O]+ 294.22216 173.2
[M+HCOO]- 356.22310 192.2
[M+CH3COO]- 370.23875 189.7
[M+Na-2H]- 332.19957 182.7
[M]+ 311.22435 181.2
[M]- 311.22545 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.