CID 100889

2-naphthalenamine, n-(2-ethylhexyl)-1-(phenylazo)-

Structural Information

Molecular Formula
C24H29N3
SMILES
CCCCC(CC)CNC1=C(C2=CC=CC=C2C=C1)N=NC3=CC=CC=C3
InChI
InChI=1S/C24H29N3/c1-3-5-11-19(4-2)18-25-23-17-16-20-12-9-10-15-22(20)24(23)27-26-21-13-7-6-8-14-21/h6-10,12-17,19,25H,3-5,11,18H2,1-2H3
InChIKey
MQMJIQSDNNCBRS-UHFFFAOYSA-N
Compound name
N-(2-ethylhexyl)-1-phenyldiazenylnaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.23615 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.243426 189.9
[M+Na]+ 382.225368 193.6
[M-H]- 358.228874 198.6
[M+NH4]+ 377.269973 203.6
[M+K]+ 398.199308 188.3
[M+H-H2O]+ 342.233410 179.2
[M+HCOO]- 404.234351 215.7
[M+CH3COO]- 418.250001 230.9
[M+Na-2H]- 380.210816 195.3
[M]+ 359.23560142 192.0
[M]- 359.23669858 192.0
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

No patent data available for this compound.