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]+ 376.14043 186.2
[M+Na]+ 398.12237 189.1
[M-H]- 374.12587 193.3
[M+NH4]+ 393.16697 194.5
[M+K]+ 414.09631 179.5
[M+H-H2O]+ 358.13041 179.5
[M+HCOO]- 420.13135 209.6
[M+CH3COO]- 434.14700 213.5
[M+Na-2H]- 396.10782 190.7
[M]+ 375.13260 182.1
[M]- 375.13370 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.