CID 136268825

6410-34-0

Structural Information

Molecular Formula
C25H20N4O5
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)OC)[N+](=O)[O-]
InChI
InChI=1S/C25H20N4O5/c1-15-7-3-6-10-20(15)26-25(31)19-13-16-8-4-5-9-18(16)23(24(19)30)28-27-21-12-11-17(34-2)14-22(21)29(32)33/h3-14,30H,1-2H3,(H,26,31)
InChIKey
RPYPWRYQJQLOQN-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

456.14337 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.15065 206.4
[M+Na]+ 479.13259 210.4
[M-H]- 455.13609 217.9
[M+NH4]+ 474.17719 213.7
[M+K]+ 495.10653 202.8
[M+H-H2O]+ 439.14063 198.5
[M+HCOO]- 501.14157 232.2
[M+CH3COO]- 515.15722 238.8
[M+Na-2H]- 477.11804 212.6
[M]+ 456.14282 207.5
[M]- 456.14392 207.5
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.