CID 54562

Quinpirole

Structural Information

Molecular Formula
C13H21N3
SMILES
CCCN1CCC[C@H]2[C@H]1CC3=C(C2)NN=C3
InChI
InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
InChIKey
FTSUPYGMFAPCFZ-ZWNOBZJWSA-N
Compound name
(4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2348
References

4332
Patents

219.17355 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.18083 154.1
[M+Na]+ 242.16277 159.9
[M-H]- 218.16627 152.7
[M+NH4]+ 237.20737 171.6
[M+K]+ 258.13671 155.0
[M+H-H2O]+ 202.17081 145.5
[M+HCOO]- 264.17175 166.4
[M+CH3COO]- 278.18740 163.7
[M+Na-2H]- 240.14822 157.1
[M]+ 219.17300 148.3
[M]- 219.17410 148.3
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