CID 23508

Metoquizine

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC1=CC(=NN1C(=O)N[C@@H]2C[C@H]3[C@@H](CC4=CN(C5=CC=CC3=C45)C)N(C2)C)C
InChI
InChI=1S/C22H27N5O/c1-13-8-14(2)27(24-13)22(28)23-16-10-18-17-6-5-7-19-21(17)15(11-25(19)3)9-20(18)26(4)12-16/h5-8,11,16,18,20H,9-10,12H2,1-4H3,(H,23,28)/t16-,18-,20-/m1/s1
InChIKey
WGPJQOGQDROQGQ-YVWKXTFCSA-N
Compound name
N-[(6aR,9R,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-3,5-dimethylpyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

377.22156 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 196.1
[M+Na]+ 400.21078 204.8
[M-H]- 376.21428 200.3
[M+NH4]+ 395.25538 209.8
[M+K]+ 416.18472 198.1
[M+H-H2O]+ 360.21882 186.2
[M+HCOO]- 422.21976 209.0
[M+CH3COO]- 436.23541 204.7
[M+Na-2H]- 398.19623 193.8
[M]+ 377.22101 197.4
[M]- 377.22211 197.4
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.