CID 135499344

Nsc652212

Structural Information

Molecular Formula
C21H19N3O5
SMILES
CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)O)OC)C(=O)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C21H19N3O5/c1-12-17(10-14-4-9-18(26)19(11-14)29-3)21(28)24(23-12)20(27)15-5-7-16(8-6-15)22-13(2)25/h4-11,26H,1-3H3,(H,22,25)/b17-10-
InChIKey
NLCSYPHRCRITDE-YVLHZVERSA-N
Compound name
N-[4-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazole-1-carbonyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13976 192.2
[M+Na]+ 416.12170 199.7
[M-H]- 392.12520 199.2
[M+NH4]+ 411.16630 201.5
[M+K]+ 432.09564 195.1
[M+H-H2O]+ 376.12974 182.6
[M+HCOO]- 438.13068 211.4
[M+CH3COO]- 452.14633 222.0
[M+Na-2H]- 414.10715 189.4
[M]+ 393.13193 194.1
[M]- 393.13303 194.1
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.