CID 121363882

Cyclopyranil

Structural Information

Molecular Formula
C15H17ClN6
SMILES
C1CCN2C(=C(C(=N2)N3C(=C(C=N3)C#N)NCC4CC4)Cl)C1
InChI
InChI=1S/C15H17ClN6/c16-13-12-3-1-2-6-21(12)20-15(13)22-14(11(7-17)9-19-22)18-8-10-4-5-10/h9-10,18H,1-6,8H2
InChIKey
QNGFJGCALLNSDE-UHFFFAOYSA-N
Compound name
1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(cyclopropylmethylamino)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1997
Patents

316.12033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12761 170.8
[M+Na]+ 339.10955 187.3
[M-H]- 315.11305 175.5
[M+NH4]+ 334.15415 180.4
[M+K]+ 355.08349 174.8
[M+H-H2O]+ 299.11759 156.7
[M+HCOO]- 361.11853 184.2
[M+CH3COO]- 375.13418 180.6
[M+Na-2H]- 337.09500 172.5
[M]+ 316.11978 170.3
[M]- 316.12088 170.3
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

patents stripe