CID 6862100

307323-15-5

Structural Information

Molecular Formula
C18H18N4O5
SMILES
COC1=CC(=C(C=C1/C=N/NC(=O)C2=NNC(=C2)C3=CC=CO3)OC)OC
InChI
InChI=1S/C18H18N4O5/c1-24-15-9-17(26-3)16(25-2)7-11(15)10-19-22-18(23)13-8-12(20-21-13)14-5-4-6-27-14/h4-10H,1-3H3,(H,20,21)(H,22,23)/b19-10+
InChIKey
JOVAHLHZCDSGMA-VXLYETTFSA-N
Compound name
5-(furan-2-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.12772 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13500 182.9
[M+Na]+ 393.11694 191.0
[M-H]- 369.12044 192.6
[M+NH4]+ 388.16154 194.0
[M+K]+ 409.09088 189.2
[M+H-H2O]+ 353.12498 173.4
[M+HCOO]- 415.12592 209.0
[M+CH3COO]- 429.14157 218.4
[M+Na-2H]- 391.10239 185.1
[M]+ 370.12717 190.4
[M]- 370.12827 190.4
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.