CID 3048897

64097-57-0

Structural Information

Molecular Formula
C20H25N3
SMILES
CN1CCN(CC1)CC2=CC3=C(C=C2)NC4=CC=CC=C4CC3
InChI
InChI=1S/C20H25N3/c1-22-10-12-23(13-11-22)15-16-6-9-20-18(14-16)8-7-17-4-2-3-5-19(17)21-20/h2-6,9,14,21H,7-8,10-13,15H2,1H3
InChIKey
NRPZLWDZENCXJO-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperazin-1-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

307.20483 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 178.1
[M+Na]+ 330.19405 190.5
[M+NH4]+ 325.23865 186.2
[M+K]+ 346.16799 182.7
[M-H]- 306.19755 182.0
[M+Na-2H]- 328.17950 184.0
[M]+ 307.20428 181.1
[M]- 307.20538 181.1
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