CID 37015

Cartazolate

Structural Information

Molecular Formula
C15H22N4O2
SMILES
CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC
InChI
InChI=1S/C15H22N4O2/c1-4-7-8-16-13-11-10-18-19(5-2)14(11)17-9-12(13)15(20)21-6-3/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKey
IQNQAOGGWGCROX-UHFFFAOYSA-N
Compound name
ethyl 4-(butylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

670
Patents

290.1743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18158 169.7
[M+Na]+ 313.16352 178.6
[M-H]- 289.16702 170.7
[M+NH4]+ 308.20812 184.4
[M+K]+ 329.13746 174.9
[M+H-H2O]+ 273.17156 160.8
[M+HCOO]- 335.17250 191.0
[M+CH3COO]- 349.18815 206.3
[M+Na-2H]- 311.14897 173.4
[M]+ 290.17375 176.1
[M]- 290.17485 176.1
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.