CID 44476436

Avn-322

Structural Information

Molecular Formula
C17H19N5O2S
SMILES
CNC1=NN2C3=C(CN(CC3)C)C=NC2=C1S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H19N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-10-12-11-21(2)9-8-14(12)22(17)20-16/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)
InChIKey
OSHBEPOEBKFEEK-UHFFFAOYSA-N
Compound name
5-(benzenesulfonyl)-N,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

357.12595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13323 181.1
[M+Na]+ 380.11517 194.9
[M+NH4]+ 375.15977 187.9
[M+K]+ 396.08911 188.3
[M-H]- 356.11867 183.6
[M+Na-2H]- 378.10062 187.3
[M]+ 357.12540 184.2
[M]- 357.12650 184.2
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