CID 77994099

Bicyclomahanimbicine

Structural Information

Molecular Formula
C23H25NO
SMILES
CC1=CC2=C(C=C1)NC3=C2C=CC4=C3C5C6C(C5(C)C)CCC6(O4)C
InChI
InChI=1S/C23H25NO/c1-12-5-7-16-14(11-12)13-6-8-17-18(21(13)24-16)20-19-15(22(20,2)3)9-10-23(19,4)25-17/h5-8,11,15,19-20,24H,9-10H2,1-4H3
InChIKey
YNDNDGLKKJXJED-UHFFFAOYSA-N
Compound name
8,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

331.1936 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20088 175.8
[M+Na]+ 354.18282 186.0
[M+NH4]+ 349.22742 185.8
[M+K]+ 370.15676 179.0
[M-H]- 330.18632 177.8
[M+Na-2H]- 352.16827 176.5
[M]+ 331.19305 177.3
[M]- 331.19415 177.3
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

patents stripe