CID 3037918

Dimemorfan

Structural Information

Molecular Formula
C18H25N
SMILES
CC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C)C=C1
InChI
InChI=1S/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey
KBEZZLAAKIIPFK-NJAFHUGGSA-N
Compound name
(1S,9S,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

2553
Patents

255.1987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 162.7
[M+Na]+ 278.18792 167.7
[M-H]- 254.19142 166.1
[M+NH4]+ 273.23252 182.8
[M+K]+ 294.16186 162.3
[M+H-H2O]+ 238.19596 153.3
[M+HCOO]- 300.19690 174.0
[M+CH3COO]- 314.21255 172.3
[M+Na-2H]- 276.17337 167.0
[M]+ 255.19815 155.8
[M]- 255.19925 155.8
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