CID 103048

64924-65-8

Structural Information

Molecular Formula
C26H39N
SMILES
CCCCCCCC1=CC=C(C=C1)NC2=CC=C(C=C2)CCCCCCC
InChI
InChI=1S/C26H39N/c1-3-5-7-9-11-13-23-15-19-25(20-16-23)27-26-21-17-24(18-22-26)14-12-10-8-6-4-2/h15-22,27H,3-14H2,1-2H3
InChIKey
TVDZNGHKRSKPCD-UHFFFAOYSA-N
Compound name
4-heptyl-N-(4-heptylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

829
Patents

365.30826 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.31554 197.7
[M+Na]+ 388.29748 200.1
[M-H]- 364.30098 202.2
[M+NH4]+ 383.34208 209.9
[M+K]+ 404.27142 193.1
[M+H-H2O]+ 348.30552 187.9
[M+HCOO]- 410.30646 218.9
[M+CH3COO]- 424.32211 225.0
[M+Na-2H]- 386.28293 198.1
[M]+ 365.30771 201.0
[M]- 365.30881 201.0
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