CID 9808844

Telatinib

Structural Information

Molecular Formula
C20H16ClN5O3
SMILES
CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)
InChIKey
QFCXANHHBCGMAS-UHFFFAOYSA-N
Compound name
4-[[4-(4-chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

37
References

4537
Patents

409.09418 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.10146 194.1
[M+Na]+ 432.08340 203.7
[M-H]- 408.08690 202.4
[M+NH4]+ 427.12800 202.0
[M+K]+ 448.05734 198.1
[M+H-H2O]+ 392.09144 182.8
[M+HCOO]- 454.09238 211.6
[M+CH3COO]- 468.10803 203.9
[M+Na-2H]- 430.06885 199.7
[M]+ 409.09363 201.0
[M]- 409.09473 201.0
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