CID 118989973

1838-02-4

Structural Information

Molecular Formula
C23H33N3
SMILES
CN(C)CCCN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C23H33N3/c1-24(2)16-8-17-25(3)18-9-19-26-22-12-6-4-10-20(22)14-15-21-11-5-7-13-23(21)26/h4-7,10-13H,8-9,14-19H2,1-3H3
InChIKey
IHOKHKNPRUGBCA-UHFFFAOYSA-N
Compound name
N'-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N,N,N'-trimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.26746 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.27474 187.8
[M+Na]+ 374.25668 198.0
[M+NH4]+ 369.30128 195.8
[M+K]+ 390.23062 190.2
[M-H]- 350.26018 192.5
[M+Na-2H]- 372.24213 193.4
[M]+ 351.26691 190.7
[M]- 351.26801 190.7
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.