CID 93154

Quinupramine

Structural Information

Molecular Formula
C21H24N2
SMILES
C1CN2CCC1C(C2)N3C4=CC=CC=C4CCC5=CC=CC=C53
InChI
InChI=1S/C21H24N2/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)23(19)21-15-22-13-11-18(21)12-14-22/h1-8,18,21H,9-15H2
InChIKey
JCBQCKFFSPGEDY-UHFFFAOYSA-N
Compound name
11-(1-azabicyclo[2.2.2]octan-3-yl)-5,6-dihydrobenzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

3650
Patents

304.19394 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 167.0
[M+Na]+ 327.18316 171.2
[M-H]- 303.18666 167.4
[M+NH4]+ 322.22776 184.3
[M+K]+ 343.15710 165.6
[M+H-H2O]+ 287.19120 159.3
[M+HCOO]- 349.19214 172.8
[M+CH3COO]- 363.20779 174.4
[M+Na-2H]- 325.16861 176.5
[M]+ 304.19339 162.5
[M]- 304.19449 162.5
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