CID 3071408

87948-63-8

Structural Information

Molecular Formula
C19H15N5O2
SMILES
CC1=CC(=NC=C1)NC(=O)C2=CN=C3C=CN(N3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H15N5O2/c1-13-7-9-20-16(11-13)22-18(25)15-12-21-17-8-10-23(24(17)19(15)26)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22,25)
InChIKey
HSXMRUFAEKTPGR-UHFFFAOYSA-N
Compound name
N-(4-methylpyridin-2-yl)-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1226 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12988 180.8
[M+Na]+ 368.11182 191.4
[M-H]- 344.11532 187.7
[M+NH4]+ 363.15642 190.7
[M+K]+ 384.08576 184.5
[M+H-H2O]+ 328.11986 169.2
[M+HCOO]- 390.12080 201.8
[M+CH3COO]- 404.13645 191.4
[M+Na-2H]- 366.09727 186.3
[M]+ 345.12205 183.4
[M]- 345.12315 183.4
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.