CID 3067266

Brn 4515749

Structural Information

Molecular Formula
C13H13N5O
SMILES
CC1=CC=C(C=C1)NN2C=NC3=C(NN=C3C2=O)C
InChI
InChI=1S/C13H13N5O/c1-8-3-5-10(6-4-8)17-18-7-14-11-9(2)15-16-12(11)13(18)19/h3-7,17H,1-2H3,(H,15,16)
InChIKey
AJXDSMMSJBNGMV-UHFFFAOYSA-N
Compound name
3-methyl-6-(4-methylanilino)-2H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11201 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11929 157.6
[M+Na]+ 278.10123 169.7
[M-H]- 254.10473 160.3
[M+NH4]+ 273.14583 171.6
[M+K]+ 294.07517 163.3
[M+H-H2O]+ 238.10927 148.2
[M+HCOO]- 300.11021 178.8
[M+CH3COO]- 314.12586 169.7
[M+Na-2H]- 276.08668 164.5
[M]+ 255.11146 159.2
[M]- 255.11256 159.2
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

No patent data available for this compound.