CID 34842

6h-dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(3-(dimethylamino)propyl)-, dimaleate

Structural Information

Molecular Formula
C21H28N2
SMILES
CN(C)CCCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1
InChI
InChI=1S/C21H28N2/c1-22(2)14-7-15-23-16-20-10-5-3-8-18(20)12-13-19-9-4-6-11-21(19)17-23/h3-6,8-11H,7,12-17H2,1-2H3
InChIKey
ZMVSQZMYLBCYMI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 196.0
[M+Na]+ 331.21447 194.1
[M-H]- 307.21797 194.4
[M+NH4]+ 326.25907 194.6
[M+K]+ 347.18841 193.7
[M+H-H2O]+ 291.22251 185.9
[M+HCOO]- 353.22345 195.3
[M+CH3COO]- 367.23910 195.9
[M+Na-2H]- 329.19992 196.8
[M]+ 308.22470 194.8
[M]- 308.22580 194.8
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.