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]+ 411.121836 196.3
[M+Na]+ 433.103778 203.1
[M-H]- 409.107284 204.2
[M+NH4]+ 428.148383 204.3
[M+K]+ 449.077718 197.0
[M+H-H2O]+ 393.111820 184.2
[M+HCOO]- 455.112761 215.6
[M+CH3COO]- 469.128411 227.7
[M+Na-2H]- 431.089226 201.0
[M]+ 410.11401142 201.9
[M]- 410.11510858 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.