CID 9579336

Cbdive_002749

Structural Information

Molecular Formula
C21H25N7O2
SMILES
CCOC1=CC=C(C=C1)N/C(=N/C(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)N)/N
InChI
InChI=1S/C21H25N7O2/c1-4-30-17-12-10-15(11-13-17)24-20(22)26-21(23)25-18-14(2)27(3)28(19(18)29)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3,(H5,22,23,24,25,26)
InChIKey
GOYLQXDOPUKJQO-UHFFFAOYSA-N
Compound name
(1E)-1-[amino-(4-ethoxyanilino)methylidene]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20697 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21425 198.7
[M+Na]+ 430.19619 204.5
[M-H]- 406.19969 208.8
[M+NH4]+ 425.24079 207.9
[M+K]+ 446.17013 200.4
[M+H-H2O]+ 390.20423 187.0
[M+HCOO]- 452.20517 225.9
[M+CH3COO]- 466.22082 240.6
[M+Na-2H]- 428.18164 199.3
[M]+ 407.20642 199.0
[M]- 407.20752 199.0
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.