CID 104063

Benzenamine, 2-nonyl-n-phenyl-

Structural Information

Molecular Formula
C21H29N
SMILES
CCCCCCCCCC1=CC=CC=C1NC2=CC=CC=C2
InChI
InChI=1S/C21H29N/c1-2-3-4-5-6-7-9-14-19-15-12-13-18-21(19)22-20-16-10-8-11-17-20/h8,10-13,15-18,22H,2-7,9,14H2,1H3
InChIKey
ZXDFRMQGNRQARM-UHFFFAOYSA-N
Compound name
2-nonyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

295.23 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.237276 175.2
[M+Na]+ 318.219218 178.8
[M-H]- 294.222724 180.3
[M+NH4]+ 313.263823 190.0
[M+K]+ 334.193158 173.1
[M+H-H2O]+ 278.227260 166.3
[M+HCOO]- 340.228201 198.2
[M+CH3COO]- 354.243851 209.1
[M+Na-2H]- 316.204666 179.1
[M]+ 295.22945142 176.3
[M]- 295.23054858 176.3
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