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]+ 264.174676 192.1
[M+Na]+ 286.156618 190.5
[M-H]- 262.160124 190.7
[M+NH4]+ 281.201223 190.9
[M+K]+ 302.130558 190.1
[M+H-H2O]+ 246.164660 182.2
[M+HCOO]- 308.165601 191.6
[M+CH3COO]- 322.181251 192.3
[M+Na-2H]- 284.142066 193.4
[M]+ 263.16685142 191.1
[M]- 263.16794858 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.