CID 9906075

Sdz-psd-958

Structural Information

Molecular Formula
C20H23ClN2O
SMILES
CC1=C(C=CC(=C1)Cl)N2CCN([C@H]3[C@H]2CC4=C(C3)C=CC=C4O)C
InChI
InChI=1S/C20H23ClN2O/c1-13-10-15(21)6-7-17(13)23-9-8-22(2)18-11-14-4-3-5-20(24)16(14)12-19(18)23/h3-7,10,18-19,24H,8-9,11-12H2,1-2H3/t18-,19-/m1/s1
InChIKey
VCFAZLUWIBQVRD-RTBURBONSA-N
Compound name
(4aR,10aR)-4-(4-chloro-2-methylphenyl)-1-methyl-2,3,4a,5,10,10a-hexahydrobenzo[g]quinoxalin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

342.1499 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15718 183.7
[M+Na]+ 365.13912 191.9
[M-H]- 341.14262 187.2
[M+NH4]+ 360.18372 196.9
[M+K]+ 381.11306 184.0
[M+H-H2O]+ 325.14716 174.1
[M+HCOO]- 387.14810 190.8
[M+CH3COO]- 401.16375 192.4
[M+Na-2H]- 363.12457 185.0
[M]+ 342.14935 181.5
[M]- 342.15045 181.5
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