CID 135423289

302918-50-9

Structural Information

Molecular Formula
C18H15N5O5
SMILES
COC1=CC=CC(=C1O)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N5O5/c1-28-16-7-3-5-12(17(16)24)10-19-22-18(25)15-9-14(20-21-15)11-4-2-6-13(8-11)23(26)27/h2-10,24H,1H3,(H,20,21)(H,22,25)/b19-10+
InChIKey
YWYPVHBKJGDTQP-VXLYETTFSA-N
Compound name
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.10733 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.11461 183.0
[M+Na]+ 404.09655 187.5
[M-H]- 380.10005 189.8
[M+NH4]+ 399.14115 190.8
[M+K]+ 420.07049 179.0
[M+H-H2O]+ 364.10459 176.8
[M+HCOO]- 426.10553 206.7
[M+CH3COO]- 440.12118 212.8
[M+Na-2H]- 402.08200 188.5
[M]+ 381.10678 181.2
[M]- 381.10788 181.2
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