CID 113241

1-naphthalenamine, n-(nonylphenyl)-

Structural Information

Molecular Formula
C25H31N
SMILES
CCCCCCCCCC1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C25H31N/c1-2-3-4-5-6-7-8-12-21-17-19-23(20-18-21)26-25-16-11-14-22-13-9-10-15-24(22)25/h9-11,13-20,26H,2-8,12H2,1H3
InChIKey
BADZBTMRAHRMFN-UHFFFAOYSA-N
Compound name
N-(4-nonylphenyl)naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

378
Patents

345.24564 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.25292 188.3
[M+Na]+ 368.23486 192.4
[M-H]- 344.23836 194.2
[M+NH4]+ 363.27946 202.1
[M+K]+ 384.20880 185.1
[M+H-H2O]+ 328.24290 178.6
[M+HCOO]- 390.24384 209.6
[M+CH3COO]- 404.25949 219.6
[M+Na-2H]- 366.22031 192.4
[M]+ 345.24509 189.7
[M]- 345.24619 189.7
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