CID 104983

Laurdan

Structural Information

Molecular Formula
C24H35NO
SMILES
CCCCCCCCCCCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)C
InChI
InChI=1S/C24H35NO/c1-4-5-6-7-8-9-10-11-12-13-24(26)22-15-14-21-19-23(25(2)3)17-16-20(21)18-22/h14-19H,4-13H2,1-3H3
InChIKey
JHDGGIDITFLRJY-UHFFFAOYSA-N
Compound name
1-[6-(dimethylamino)naphthalen-2-yl]dodecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

299
References

834
Patents

353.27185 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.27913 193.9
[M+Na]+ 376.26107 197.2
[M-H]- 352.26457 197.9
[M+NH4]+ 371.30567 208.3
[M+K]+ 392.23501 192.6
[M+H-H2O]+ 336.26911 185.0
[M+HCOO]- 398.27005 214.0
[M+CH3COO]- 412.28570 226.3
[M+Na-2H]- 374.24652 194.0
[M]+ 353.27130 199.1
[M]- 353.27240 199.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe