CID 19143

Cyclazocine

Structural Information

Molecular Formula
C18H25NO
SMILES
CC1C2CC3=C(C1(CCN2CC4CC4)C)C=C(C=C3)O
InChI
InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3
InChIKey
YQYVFVRQLZMJKJ-UHFFFAOYSA-N
Compound name
10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

879
References

6872
Patents

271.1936 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 169.4
[M+Na]+ 294.18282 177.9
[M-H]- 270.18632 173.5
[M+NH4]+ 289.22742 183.8
[M+K]+ 310.15676 172.5
[M+H-H2O]+ 254.19086 161.9
[M+HCOO]- 316.19180 181.6
[M+CH3COO]- 330.20745 179.0
[M+Na-2H]- 292.16827 173.4
[M]+ 271.19305 169.0
[M]- 271.19415 169.0
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

No patent data available for this compound.