CID 56655571

Avn-492

Structural Information

Molecular Formula
C17H21N5O2S
SMILES
CC1=C(C(=NC2=C(C(=NN12)NC)S(=O)(=O)C3=CC=CC=C3)C)N(C)C
InChI
InChI=1S/C17H21N5O2S/c1-11-14(21(4)5)12(2)22-17(19-11)15(16(18-3)20-22)25(23,24)13-9-7-6-8-10-13/h6-10H,1-5H3,(H,18,20)
InChIKey
SNPPEHMSSOEYDH-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-2-N,6-N,6-N,5,7-pentamethylpyrazolo[1,5-a]pyrimidine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5
Patents

359.1416 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14888 185.8
[M+Na]+ 382.13082 197.2
[M-H]- 358.13432 192.8
[M+NH4]+ 377.17542 198.8
[M+K]+ 398.10476 192.3
[M+H-H2O]+ 342.13886 177.2
[M+HCOO]- 404.13980 203.7
[M+CH3COO]- 418.15545 222.1
[M+Na-2H]- 380.11627 189.1
[M]+ 359.14105 193.5
[M]- 359.14215 193.5
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

patents stripe