CID 121248

Morphanthridine, 8-chloro-6-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C19H20ClN3
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3CC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H20ClN3/c1-22-8-10-23(11-9-22)19-17-13-16(20)7-6-14(17)12-15-4-2-3-5-18(15)21-19/h2-7,13H,8-12H2,1H3
InChIKey
ANVUIQDFTNLNMQ-UHFFFAOYSA-N
Compound name
8-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

325.13458 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14186 177.6
[M+Na]+ 348.12380 186.5
[M-H]- 324.12730 182.1
[M+NH4]+ 343.16840 190.1
[M+K]+ 364.09774 182.6
[M+H-H2O]+ 308.13184 166.9
[M+HCOO]- 370.13278 187.0
[M+CH3COO]- 384.14843 186.7
[M+Na-2H]- 346.10925 182.0
[M]+ 325.13403 173.7
[M]- 325.13513 173.7
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

patents stripe