CID 121713

Einecs 250-205-6

Structural Information

Molecular Formula
C23H29N5O3
SMILES
CCCCC(CC)CNC(=O)C1=CC=C(C=C1)N=NC2=C(C(=C(N(C2=O)C)O)C#N)C
InChI
InChI=1S/C23H29N5O3/c1-5-7-8-16(6-2)14-25-21(29)17-9-11-18(12-10-17)26-27-20-15(3)19(13-24)22(30)28(4)23(20)31/h9-12,16,30H,5-8,14H2,1-4H3,(H,25,29)
InChIKey
KYVVXWNORDPBRH-UHFFFAOYSA-N
Compound name
4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]-N-(2-ethylhexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

423.22705 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23433 207.1
[M+Na]+ 446.21627 214.2
[M-H]- 422.21977 211.9
[M+NH4]+ 441.26087 214.6
[M+K]+ 462.19021 210.2
[M+H-H2O]+ 406.22431 190.2
[M+HCOO]- 468.22525 226.2
[M+CH3COO]- 482.24090 248.0
[M+Na-2H]- 444.20172 204.8
[M]+ 423.22650 206.1
[M]- 423.22760 206.1
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