CID 215681

36065-49-3

Structural Information

Molecular Formula
C19H23N
SMILES
CC1C2=CC=CC=C2CCC3=C1C(=CC=C3)CN(C)C
InChI
InChI=1S/C19H23N/c1-14-18-10-5-4-7-15(18)11-12-16-8-6-9-17(19(14)16)13-20(2)3/h4-10,14H,11-13H2,1-3H3
InChIKey
LJQSXHWBRMQHID-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2-methyl-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

265.18304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.190316 161.2
[M+Na]+ 288.172258 167.1
[M-H]- 264.175764 168.8
[M+NH4]+ 283.216863 179.7
[M+K]+ 304.146198 167.1
[M+H-H2O]+ 248.180300 156.0
[M+HCOO]- 310.181241 181.7
[M+CH3COO]- 324.196891 172.9
[M+Na-2H]- 286.157706 166.5
[M]+ 265.18249142 159.3
[M]- 265.18358858 159.3
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.