CID 38863

6-isobutyl-1,2,10-trimethoxy-6a-alpha-noraporphin-9-ol hydrochloride

Structural Information

Molecular Formula
C23H29NO4
SMILES
CC(C)CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)O)OC)OC)OC
InChI
InChI=1S/C23H29NO4/c1-13(2)12-24-9-8-15-11-18(26-3)23(28-5)21-19(15)16(24)10-14-6-7-17(25)22(27-4)20(14)21/h6-7,11,13,16,25H,8-10,12H2,1-5H3/t16-/m0/s1
InChIKey
LWQOMFOFBOOBAE-INIZCTEOSA-N
Compound name
(6aS)-1,2,11-trimethoxy-6-(2-methylpropyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 195.6
[M+Na]+ 406.19888 202.2
[M-H]- 382.20238 197.8
[M+NH4]+ 401.24348 209.0
[M+K]+ 422.17282 198.2
[M+H-H2O]+ 366.20692 186.5
[M+HCOO]- 428.20786 206.5
[M+CH3COO]- 442.22351 226.3
[M+Na-2H]- 404.18433 196.4
[M]+ 383.20911 200.1
[M]- 383.21021 200.1
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

No patent data available for this compound.