CID 3068994

5h-dibenz(b,f)azepine, 10-(3-(dimethylamino)propyl)-5-methyl-, oxalate

Structural Information

Molecular Formula
C20H24N2
SMILES
CN1C2=CC=CC=C2C=C(C3=CC=CC=C31)CCCN(C)C
InChI
InChI=1S/C20H24N2/c1-21(2)14-8-10-16-15-17-9-4-6-12-19(17)22(3)20-13-7-5-11-18(16)20/h4-7,9,11-13,15H,8,10,14H2,1-3H3
InChIKey
RTLUCVNSMIWXJE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(11-methylbenzo[b][1]benzazepin-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20122 170.0
[M+Na]+ 315.18316 176.6
[M-H]- 291.18666 176.4
[M+NH4]+ 310.22776 186.2
[M+K]+ 331.15710 176.1
[M+H-H2O]+ 275.19120 162.9
[M+HCOO]- 337.19214 190.2
[M+CH3COO]- 351.20779 181.0
[M+Na-2H]- 313.16861 175.8
[M]+ 292.19339 170.3
[M]- 292.19449 170.3
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.