CID 113131

63216-94-4

Structural Information

Molecular Formula
C24H29N3O
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N=NC2=C(C=CC3=CC=CC=C32)N
InChI
InChI=1S/C24H29N3O/c1-23(2,3)15-24(4,5)17-11-13-21(28)20(14-17)26-27-22-18-9-7-6-8-16(18)10-12-19(22)25/h6-14,28H,15,25H2,1-5H3
InChIKey
LIRFEWBOZNDRIG-UHFFFAOYSA-N
Compound name
2-[(2-aminonaphthalen-1-yl)diazenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 195.2
[M+Na]+ 398.22027 201.3
[M-H]- 374.22377 203.5
[M+NH4]+ 393.26487 208.2
[M+K]+ 414.19421 196.6
[M+H-H2O]+ 358.22831 186.3
[M+HCOO]- 420.22925 216.7
[M+CH3COO]- 434.24490 232.0
[M+Na-2H]- 396.20572 200.7
[M]+ 375.23050 196.3
[M]- 375.23160 196.3
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.