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

3
Patents

331.1936 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.200876 181.3
[M+Na]+ 354.182818 192.0
[M-H]- 330.186324 187.8
[M+NH4]+ 349.227423 199.1
[M+K]+ 370.156758 187.4
[M+H-H2O]+ 314.190860 170.6
[M+HCOO]- 376.191801 193.1
[M+CH3COO]- 390.207451 192.1
[M+Na-2H]- 352.168266 183.7
[M]+ 331.19305142 192.9
[M]- 331.19414858 192.9
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