CID 135765517

302918-56-5

Structural Information

Molecular Formula
C18H15N5O4
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)O
InChI
InChI=1S/C18H15N5O4/c1-11(12-5-7-15(24)8-6-12)19-22-18(25)17-10-16(20-21-17)13-3-2-4-14(9-13)23(26)27/h2-10,24H,1H3,(H,20,21)(H,22,25)/b19-11+
InChIKey
IRHSBMVLKQJXRY-YBFXNURJSA-N
Compound name
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1124 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11968 179.6
[M+Na]+ 388.10162 183.3
[M-H]- 364.10512 186.2
[M+NH4]+ 383.14622 187.9
[M+K]+ 404.07556 174.7
[M+H-H2O]+ 348.10966 173.7
[M+HCOO]- 410.11060 202.3
[M+CH3COO]- 424.12625 210.1
[M+Na-2H]- 386.08707 184.6
[M]+ 365.11185 175.6
[M]- 365.11295 175.6
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.