CID 5315364

Bicyclomahanimbine

Structural Information

Molecular Formula
C23H25NO
SMILES
CC1=CC2=C(C3=C1OC4(CCC5C4C3C5(C)C)C)NC6=CC=CC=C62
InChI
InChI=1S/C23H25NO/c1-12-11-14-13-7-5-6-8-16(13)24-20(14)17-19-18-15(22(19,2)3)9-10-23(18,4)25-21(12)17/h5-8,11,15,18-19,24H,9-10H2,1-4H3
InChIKey
CUSONBTUCOAEMV-UHFFFAOYSA-N
Compound name
13,16,20,20-tetramethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5,7,9,12-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

literature stripe

Patent stripe

patents stripe