CID 9617872

767311-96-6

Structural Information

Molecular Formula
C21H19ClN4O3
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=NC=CN=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H19ClN4O3/c1-2-28-20-11-16(12-25-26-21(27)18-13-23-9-10-24-18)5-8-19(20)29-14-15-3-6-17(22)7-4-15/h3-13H,2,14H2,1H3,(H,26,27)/b25-12+
InChIKey
GYCJGGFLYOXHHG-BRJLIKDPSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.11456 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12184 196.3
[M+Na]+ 433.10378 203.1
[M-H]- 409.10728 204.2
[M+NH4]+ 428.14838 204.3
[M+K]+ 449.07772 197.0
[M+H-H2O]+ 393.11182 184.2
[M+HCOO]- 455.11276 215.6
[M+CH3COO]- 469.12841 227.7
[M+Na-2H]- 431.08923 201.0
[M]+ 410.11401 201.9
[M]- 410.11511 201.9
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.