CID 57242

Quinelorane

Structural Information

Molecular Formula
C14H22N4
SMILES
CCCN1CCC[C@H]2[C@H]1CC3=CN=C(N=C3C2)N
InChI
InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
InChIKey
TUFADSGTJUOBEH-ZWNOBZJWSA-N
Compound name
(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

150
References

1052
Patents

246.18445 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19173 159.9
[M+Na]+ 269.17367 172.1
[M+NH4]+ 264.21827 168.5
[M+K]+ 285.14761 164.4
[M-H]- 245.17717 162.4
[M+Na-2H]- 267.15912 163.8
[M]+ 246.18390 162.2
[M]- 246.18500 162.2
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