CID 930618

610279-48-6

Structural Information

Molecular Formula
C13H14N6
SMILES
CC1=CC=C(C=C1)CN2C3=NC=NC(=C3C=N2)NN
InChI
InChI=1S/C13H14N6/c1-9-2-4-10(5-3-9)7-19-13-11(6-17-19)12(18-14)15-8-16-13/h2-6,8H,7,14H2,1H3,(H,15,16,18)
InChIKey
CDTKKVKZZZGALS-UHFFFAOYSA-N
Compound name
[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

254.12799 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13527 156.6
[M+Na]+ 277.11721 167.2
[M-H]- 253.12071 159.8
[M+NH4]+ 272.16181 170.5
[M+K]+ 293.09115 161.3
[M+H-H2O]+ 237.12525 146.5
[M+HCOO]- 299.12619 179.4
[M+CH3COO]- 313.14184 168.4
[M+Na-2H]- 275.10266 164.6
[M]+ 254.12744 157.4
[M]- 254.12854 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.