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 176.6
[M+Na]+ 330.19405 181.3
[M-H]- 306.19755 179.5
[M+NH4]+ 325.23865 187.7
[M+K]+ 346.16799 177.6
[M+H-H2O]+ 290.20209 166.2
[M+HCOO]- 352.20303 187.1
[M+CH3COO]- 366.21868 184.1
[M+Na-2H]- 328.17950 180.3
[M]+ 307.20428 167.6
[M]- 307.20538 167.6
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