CID 5102033

N,n-dihexadecylaniline

Structural Information

Molecular Formula
C38H71N
SMILES
CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=CC=C1
InChI
InChI=1S/C38H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-39(38-34-30-29-31-35-38)37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35H,3-28,32-33,36-37H2,1-2H3
InChIKey
IEVJIMWHPIWBIS-UHFFFAOYSA-N
Compound name
N,N-dihexadecylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

541.55865 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.56593 257.3
[M+Na]+ 564.54787 251.4
[M-H]- 540.55137 256.0
[M+NH4]+ 559.59247 262.5
[M+K]+ 580.52181 243.4
[M+H-H2O]+ 524.55591 245.1
[M+HCOO]- 586.55685 273.2
[M+CH3COO]- 600.57250 265.2
[M+Na-2H]- 562.53332 249.2
[M]+ 541.55810 268.0
[M]- 541.55920 268.0
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