CID 25151705

Aezs-126

Structural Information

Molecular Formula
C19H22N6O3S
SMILES
CCNC(=S)NC1=NC2=NC(=CN=C2C=C1)NC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H22N6O3S/c1-5-20-19(29)25-15-7-6-12-18(23-15)24-16(10-21-12)22-11-8-13(26-2)17(28-4)14(9-11)27-3/h6-10H,5H2,1-4H3,(H3,20,22,23,24,25,29)
InChIKey
YJGOOHUUMIONLF-UHFFFAOYSA-N
Compound name
1-ethyl-3-[3-(3,4,5-trimethoxyanilino)pyrido[2,3-b]pyrazin-6-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

414.1474 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15468 195.7
[M+Na]+ 437.13662 203.0
[M-H]- 413.14012 199.6
[M+NH4]+ 432.18122 203.0
[M+K]+ 453.11056 197.4
[M+H-H2O]+ 397.14466 185.1
[M+HCOO]- 459.14560 211.8
[M+CH3COO]- 473.16125 232.6
[M+Na-2H]- 435.12207 200.2
[M]+ 414.14685 201.5
[M]- 414.14795 201.5
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.