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

676
Patents

290.1743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.181576 169.7
[M+Na]+ 313.163518 178.6
[M-H]- 289.167024 170.7
[M+NH4]+ 308.208123 184.4
[M+K]+ 329.137458 174.9
[M+H-H2O]+ 273.171560 160.8
[M+HCOO]- 335.172501 191.0
[M+CH3COO]- 349.188151 206.3
[M+Na-2H]- 311.148966 173.4
[M]+ 290.17375142 176.1
[M]- 290.17484858 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.