CID 22168299

36878-20-3

Structural Information

Molecular Formula
C30H47N
SMILES
CCCCCCCCCC1=CC(=CC=C1)NC2=CC=CC(=C2)CCCCCCCCC
InChI
InChI=1S/C30H47N/c1-3-5-7-9-11-13-15-19-27-21-17-23-29(25-27)31-30-24-18-22-28(26-30)20-16-14-12-10-8-6-4-2/h17-18,21-26,31H,3-16,19-20H2,1-2H3
InChIKey
NBJDNCGUUVZUIB-UHFFFAOYSA-N
Compound name
3-nonyl-N-(3-nonylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

421.37085 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.37813 215.3
[M+Na]+ 444.36007 215.8
[M-H]- 420.36357 218.9
[M+NH4]+ 439.40467 225.1
[M+K]+ 460.33401 207.9
[M+H-H2O]+ 404.36811 204.6
[M+HCOO]- 466.36905 235.0
[M+CH3COO]- 480.38470 236.8
[M+Na-2H]- 442.34552 213.5
[M]+ 421.37030 219.9
[M]- 421.37140 219.9
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

patents stripe