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

154
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 196.5
[M+Na]+ 437.13662 208.3
[M+NH4]+ 432.18122 201.6
[M+K]+ 453.11056 200.3
[M-H]- 413.14012 200.4
[M+Na-2H]- 435.12207 202.7
[M]+ 414.14685 199.5
[M]- 414.14795 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe