CID 3053594

6h-dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-propyl-, hydrochloride, hydrate

Structural Information

Molecular Formula
C19H23N
SMILES
CCCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1
InChI
InChI=1S/C19H23N/c1-2-13-20-14-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)15-20/h3-10H,2,11-15H2,1H3
InChIKey
WKDVZJOICVIUID-UHFFFAOYSA-N
Compound name
6-propyl-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.18304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.19032 186.1
[M+Na]+ 288.17226 188.3
[M+NH4]+ 283.21686 187.5
[M+K]+ 304.14620 185.8
[M-H]- 264.17576 186.8
[M+Na-2H]- 286.15771 186.1
[M]+ 265.18249 186.7
[M]- 265.18359 186.7
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.