CID 5288826

Morphine

Structural Information

Molecular Formula
C17H19NO3
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChIKey
BQJCRHHNABKAKU-KBQPJGBKSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

48903
References

118214
Patents

285.1365 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 164.0
[M+Na]+ 308.12572 171.3
[M-H]- 284.12922 166.3
[M+NH4]+ 303.17032 183.9
[M+K]+ 324.09966 167.0
[M+H-H2O]+ 268.13376 156.5
[M+HCOO]- 330.13470 172.7
[M+CH3COO]- 344.15035 174.0
[M+Na-2H]- 306.11117 168.6
[M]+ 285.13595 162.7
[M]- 285.13705 162.7
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