CID 106380

2-naphthalenecarboxamide, 4-[[5-(aminocarbonyl)-2-methoxyphenyl]azo]-3-hydroxy-n-phenyl-

Structural Information

Molecular Formula
C25H20N4O4
SMILES
COC1=C(C=C(C=C1)C(=O)N)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)O
InChI
InChI=1S/C25H20N4O4/c1-33-21-12-11-16(24(26)31)14-20(21)28-29-22-18-10-6-5-7-15(18)13-19(23(22)30)25(32)27-17-8-3-2-4-9-17/h2-14,30H,1H3,(H2,26,31)(H,27,32)
InChIKey
ZWPGSNPNNSTONK-UHFFFAOYSA-N
Compound name
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
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

No literature data available for this compound.

Patent stripe

patents stripe