CID 36635

Brn 2944467

Structural Information

Molecular Formula
C19H21N
SMILES
CN(C)CC1=CC=CC2=C1C(=C)C3=CC=CC=C3CC2
InChI
InChI=1S/C19H21N/c1-14-18-10-5-4-7-15(18)11-12-16-8-6-9-17(19(14)16)13-20(2)3/h4-10H,1,11-13H2,2-3H3
InChIKey
ZPQFIXNNRGCZCM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2-methylidene-4-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 160.2
[M+Na]+ 286.15662 166.4
[M-H]- 262.16012 167.8
[M+NH4]+ 281.20122 178.7
[M+K]+ 302.13056 165.8
[M+H-H2O]+ 246.16466 155.0
[M+HCOO]- 308.16560 180.8
[M+CH3COO]- 322.18125 172.0
[M+Na-2H]- 284.14207 165.5
[M]+ 263.16685 157.6
[M]- 263.16795 157.6
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.