CID 101856126

Murrayazolinine

Structural Information

Molecular Formula
C23H27NO2
SMILES
CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(C)(C)O)C)NC5=CC=CC=C52
InChI
InChI=1S/C23H27NO2/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,26-21(13)19)10-9-17(16)22(2,3)25/h5-8,11,16-17,24-25H,9-10,12H2,1-4H3
InChIKey
VAFPWCIGDGFJNB-UHFFFAOYSA-N
Compound name
2-(13,16-dimethyl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaen-19-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.2042 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.211476 187.0
[M+Na]+ 372.193418 195.7
[M-H]- 348.196924 189.4
[M+NH4]+ 367.238023 205.0
[M+K]+ 388.167358 189.4
[M+H-H2O]+ 332.201460 179.6
[M+HCOO]- 394.202401 195.0
[M+CH3COO]- 408.218051 196.0
[M+Na-2H]- 370.178866 192.4
[M]+ 349.20365142 187.0
[M]- 349.20474858 187.0
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