CID 49403

Brn 2743950

Structural Information

Molecular Formula
C21H25N
SMILES
CC(CN(C)C)C=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C21H25N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,14,16H,12-13,15H2,1-3H3
InChIKey
KTUQEGKICBXSBN-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1987 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.205976 169.2
[M+Na]+ 314.187918 173.5
[M-H]- 290.191424 176.2
[M+NH4]+ 309.232523 186.3
[M+K]+ 330.161858 172.9
[M+H-H2O]+ 274.195960 163.7
[M+HCOO]- 336.196901 188.2
[M+CH3COO]- 350.212551 179.7
[M+Na-2H]- 312.173366 173.1
[M]+ 291.19815142 166.3
[M]- 291.19924858 166.3
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.