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]+ 308.212106 176.6
[M+Na]+ 330.194048 181.3
[M-H]- 306.197554 179.5
[M+NH4]+ 325.238653 187.7
[M+K]+ 346.167988 177.6
[M+H-H2O]+ 290.202090 166.2
[M+HCOO]- 352.203031 187.1
[M+CH3COO]- 366.218681 184.1
[M+Na-2H]- 328.179496 180.3
[M]+ 307.20428142 167.6
[M]- 307.20537858 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