CID 44064

62469-24-3

Structural Information

Molecular Formula
C21H26N2
SMILES
CN(C)CCNCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C21H26N2/c1-23(2)16-15-22-14-13-21-19-9-5-3-7-17(19)11-12-18-8-4-6-10-20(18)21/h3-10,13,22H,11-12,14-16H2,1-2H3
InChIKey
RLIXHJNFXRBQPN-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 173.7
[M+Na]+ 329.19882 177.5
[M-H]- 305.20232 180.5
[M+NH4]+ 324.24342 189.9
[M+K]+ 345.17276 176.7
[M+H-H2O]+ 289.20686 167.4
[M+HCOO]- 351.20780 194.7
[M+CH3COO]- 365.22345 183.7
[M+Na-2H]- 327.18427 179.1
[M]+ 306.20905 170.8
[M]- 306.21015 170.8
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.