CID 3048901

Brn 0580059

Structural Information

Molecular Formula
C24H34N4
SMILES
CN1CCN(CC1)CC2=CC3=C(C=C2)N(C4=CC=CC=C4CC3)CCN(C)C
InChI
InChI=1S/C24H34N4/c1-25(2)12-17-28-23-7-5-4-6-21(23)9-10-22-18-20(8-11-24(22)28)19-27-15-13-26(3)14-16-27/h4-8,11,18H,9-10,12-17,19H2,1-3H3
InChIKey
AZIGDGJSRSZXIB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[3-[(4-methylpiperazin-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.27835 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28563 196.9
[M+Na]+ 401.26757 200.4
[M-H]- 377.27107 201.9
[M+NH4]+ 396.31217 206.4
[M+K]+ 417.24151 198.2
[M+H-H2O]+ 361.27561 185.0
[M+HCOO]- 423.27655 208.8
[M+CH3COO]- 437.29220 203.6
[M+Na-2H]- 399.25302 198.2
[M]+ 378.27780 191.7
[M]- 378.27890 191.7
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

No patent data available for this compound.