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]+ 266.190316 192.0
[M+Na]+ 288.172258 190.4
[M-H]- 264.175764 190.6
[M+NH4]+ 283.216863 190.8
[M+K]+ 304.146198 190.0
[M+H-H2O]+ 248.180300 182.1
[M+HCOO]- 310.181241 191.6
[M+CH3COO]- 324.196891 192.3
[M+Na-2H]- 286.157706 193.4
[M]+ 265.18249142 191.1
[M]- 265.18358858 191.1
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.