CID 135554351

302918-07-6

Structural Information

Molecular Formula
C17H13N5O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H13N5O4/c23-16-7-2-1-4-12(16)10-18-21-17(24)15-9-14(19-20-15)11-5-3-6-13(8-11)22(25)26/h1-10,23H,(H,19,20)(H,21,24)/b18-10+
InChIKey
RRTLJEZGZPHJGL-VCHYOVAHSA-N
Compound name
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.09674 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10402 175.2
[M+Na]+ 374.08596 179.7
[M-H]- 350.08946 181.9
[M+NH4]+ 369.13056 184.2
[M+K]+ 390.05990 170.6
[M+H-H2O]+ 334.09400 169.3
[M+HCOO]- 396.09494 199.2
[M+CH3COO]- 410.11059 206.4
[M+Na-2H]- 372.07141 181.7
[M]+ 351.09619 171.5
[M]- 351.09729 171.5
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.