CID 16106

Perlapine

Structural Information

Molecular Formula
C19H21N3
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3CC4=CC=CC=C42
InChI
InChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3
InChIKey
PWRPUAKXMQAFCJ-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

4480
Patents

291.17355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18083 171.5
[M+Na]+ 314.16277 178.1
[M-H]- 290.16627 176.3
[M+NH4]+ 309.20737 184.1
[M+K]+ 330.13671 175.2
[M+H-H2O]+ 274.17081 161.2
[M+HCOO]- 336.17175 185.2
[M+CH3COO]- 350.18740 180.6
[M+Na-2H]- 312.14822 177.0
[M]+ 291.17300 165.2
[M]- 291.17410 165.2
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