CID 34827

Brn 1648615

Structural Information

Molecular Formula
C19H21N
SMILES
C=CCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1
InChI
InChI=1S/C19H21N/c1-2-13-20-14-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)15-20/h2-10H,1,11-15H2
InChIKey
MRWZUFUOLKNWKS-UHFFFAOYSA-N
Compound name
6-prop-2-enyl-5,7,12,13-tetrahydrobenzo[d][2]benzazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 192.1
[M+Na]+ 286.15662 190.5
[M-H]- 262.16012 190.7
[M+NH4]+ 281.20122 190.9
[M+K]+ 302.13056 190.1
[M+H-H2O]+ 246.16466 182.2
[M+HCOO]- 308.16560 191.6
[M+CH3COO]- 322.18125 192.3
[M+Na-2H]- 284.14207 193.4
[M]+ 263.16685 191.1
[M]- 263.16795 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.