CID 13232082

1h,7h-pyrazolo(1,5-a)pyrimidin-7-one, 1-(3-chlorophenyl)-5-(2-(3-pyridyl)ethenyl)-, (e)-

Structural Information

Molecular Formula
C19H13ClN4O
SMILES
C1=CC(=CC(=C1)Cl)N2C=CC3=NC(=CC(=O)N32)/C=C/C4=CN=CC=C4
InChI
InChI=1S/C19H13ClN4O/c20-15-4-1-5-17(11-15)23-10-8-18-22-16(12-19(25)24(18)23)7-6-14-3-2-9-21-13-14/h1-13H/b7-6+
InChIKey
UCTHKLJIWLUHFX-VOTSOKGWSA-N
Compound name
1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.0778 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08508 181.8
[M+Na]+ 371.06702 194.6
[M-H]- 347.07052 187.8
[M+NH4]+ 366.11162 192.9
[M+K]+ 387.04096 185.1
[M+H-H2O]+ 331.07506 170.0
[M+HCOO]- 393.07600 197.7
[M+CH3COO]- 407.09165 192.6
[M+Na-2H]- 369.05247 186.5
[M]+ 348.07725 186.2
[M]- 348.07835 186.2
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