CID 3033276

N-(cyclopropylmethyl)norapomorphine hydrochloride

Structural Information

Molecular Formula
C20H21NO2
SMILES
C1CC1CN2CCC3=C4[C@H]2CC5=C(C4=CC=C3)C(=C(C=C5)O)O
InChI
InChI=1S/C20H21NO2/c22-17-7-6-14-10-16-18-13(8-9-21(16)11-12-4-5-12)2-1-3-15(18)19(14)20(17)23/h1-3,6-7,12,16,22-23H,4-5,8-11H2/t16-/m1/s1
InChIKey
OXQZCFBTWSWVNN-MRXNPFEDSA-N
Compound name
(6aR)-6-(cyclopropylmethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 172.2
[M+Na]+ 330.14645 181.0
[M-H]- 306.14995 176.6
[M+NH4]+ 325.19105 183.0
[M+K]+ 346.12039 173.6
[M+H-H2O]+ 290.15449 163.8
[M+HCOO]- 352.15543 184.2
[M+CH3COO]- 366.17108 181.2
[M+Na-2H]- 328.13190 176.7
[M]+ 307.15668 172.1
[M]- 307.15778 172.1
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.