CID 162235

2-naphthalenecarboxamide, 4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-n-(2-methoxyphenyl)-

Structural Information

Molecular Formula
C25H20N4O4
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C25H20N4O4/c1-33-21-9-5-4-8-20(21)27-25(32)19-14-16-6-2-3-7-18(16)22(23(19)30)29-28-17-12-10-15(11-13-17)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)
InChIKey
HULNYTPFPARJMG-UHFFFAOYSA-N
Compound name
4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

29
Patents

440.14847 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15575 203.4
[M+Na]+ 463.13769 208.6
[M-H]- 439.14119 214.8
[M+NH4]+ 458.18229 211.9
[M+K]+ 479.11163 204.9
[M+H-H2O]+ 423.14573 191.7
[M+HCOO]- 485.14667 228.7
[M+CH3COO]- 499.16232 244.0
[M+Na-2H]- 461.12314 207.3
[M]+ 440.14792 204.5
[M]- 440.14902 204.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe