CID 3023259

Sr 95274a

Structural Information

Molecular Formula
C15H17N5OS
SMILES
C1COCCN1CCNC2=NN=C(C=C2C#N)C3=CSC=C3
InChI
InChI=1S/C15H17N5OS/c16-10-13-9-14(12-1-8-22-11-12)18-19-15(13)17-2-3-20-4-6-21-7-5-20/h1,8-9,11H,2-7H2,(H,17,19)
InChIKey
MXBQWFJMSNQODB-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethylamino)-6-thiophen-3-ylpyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1154 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12268 169.3
[M+Na]+ 338.10462 177.6
[M-H]- 314.10812 173.0
[M+NH4]+ 333.14922 178.5
[M+K]+ 354.07856 172.5
[M+H-H2O]+ 298.11266 152.4
[M+HCOO]- 360.11360 179.5
[M+CH3COO]- 374.12925 177.3
[M+Na-2H]- 336.09007 170.1
[M]+ 315.11485 163.1
[M]- 315.11595 163.1
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.