CID 3048901

64097-64-9

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]+ 379.285626 196.9
[M+Na]+ 401.267568 200.4
[M-H]- 377.271074 201.9
[M+NH4]+ 396.312173 206.4
[M+K]+ 417.241508 198.2
[M+H-H2O]+ 361.275610 185.0
[M+HCOO]- 423.276551 208.8
[M+CH3COO]- 437.292201 203.6
[M+Na-2H]- 399.253016 198.2
[M]+ 378.27780142 191.7
[M]- 378.27889858 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.