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
4
Annotation Hits

879
References

6450
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

literature stripe

Patent stripe

patents stripe