CID 362535

Nsc626609

Structural Information

Molecular Formula
C18H14N4O5
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H14N4O5/c1-10-15(20-19-14-5-3-2-4-13(14)18(26)27)17(25)22(21-10)16(24)11-6-8-12(23)9-7-11/h2-9,15,23H,1H3,(H,26,27)
InChIKey
HKSUQXFHPYFLSZ-UHFFFAOYSA-N
Compound name
2-[[1-(4-hydroxybenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0964 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10368 181.7
[M+Na]+ 389.08562 189.1
[M-H]- 365.08912 190.2
[M+NH4]+ 384.13022 192.1
[M+K]+ 405.05956 185.9
[M+H-H2O]+ 349.09366 171.7
[M+HCOO]- 411.09460 204.5
[M+CH3COO]- 425.11025 220.0
[M+Na-2H]- 387.07107 182.3
[M]+ 366.09585 183.4
[M]- 366.09695 183.4
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.