CID 6862312

307975-80-0

Structural Information

Molecular Formula
C20H17N5O3
SMILES
C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H17N5O3/c1-14(10-15-6-3-2-4-7-15)13-21-24-20(26)19-12-18(22-23-19)16-8-5-9-17(11-16)25(27)28/h2-13H,1H3,(H,22,23)(H,24,26)/b14-10+,21-13+
InChIKey
GTQTXNLMQPYVBP-YHZNWYNJSA-N
Compound name
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.13315 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.140426 186.2
[M+Na]+ 398.122368 189.1
[M-H]- 374.125874 193.3
[M+NH4]+ 393.166973 194.5
[M+K]+ 414.096308 179.5
[M+H-H2O]+ 358.130410 179.5
[M+HCOO]- 420.131351 209.6
[M+CH3COO]- 434.147001 213.5
[M+Na-2H]- 396.107816 190.7
[M]+ 375.13260142 182.1
[M]- 375.13369858 182.1
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.