CID 3048902

Brn 0582623

Structural Information

Molecular Formula
C25H36N4
SMILES
CN1CCN(CC1)CC2=CC3=C(C=C2)N(C4=CC=CC=C4CC3)CCCN(C)C
InChI
InChI=1S/C25H36N4/c1-26(2)13-6-14-29-24-8-5-4-7-22(24)10-11-23-19-21(9-12-25(23)29)20-28-17-15-27(3)16-18-28/h4-5,7-9,12,19H,6,10-11,13-18,20H2,1-3H3
InChIKey
MZLFXFVKDCQVDT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.294 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.30128 201.1
[M+Na]+ 415.28322 204.2
[M-H]- 391.28672 205.9
[M+NH4]+ 410.32782 210.0
[M+K]+ 431.25716 201.8
[M+H-H2O]+ 375.29126 189.0
[M+HCOO]- 437.29220 212.7
[M+CH3COO]- 451.30785 207.4
[M+Na-2H]- 413.26867 201.9
[M]+ 392.29345 196.2
[M]- 392.29455 196.2
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.