CID 16076173

4-[5-[2-(benzotriazol-1-yl)ethyl]tetrazol-2-yl]sulfonylaniline

Structural Information

Molecular Formula
C15H14N8O2S
SMILES
C1=CC=C2C(=C1)N=NN2CCC3=NN(N=N3)S(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C15H14N8O2S/c16-11-5-7-12(8-6-11)26(24,25)23-19-15(18-21-23)9-10-22-14-4-2-1-3-13(14)17-20-22/h1-8H,9-10,16H2
InChIKey
JVDYKTTWBHFMDC-UHFFFAOYSA-N
Compound name
4-[5-[2-(benzotriazol-1-yl)ethyl]tetrazol-2-yl]sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.09604 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10332 184.5
[M+Na]+ 393.08526 197.5
[M-H]- 369.08876 188.8
[M+NH4]+ 388.12986 192.2
[M+K]+ 409.05920 190.5
[M+H-H2O]+ 353.09330 175.1
[M+HCOO]- 415.09424 198.3
[M+CH3COO]- 429.10989 194.3
[M+Na-2H]- 391.07071 187.8
[M]+ 370.09549 189.4
[M]- 370.09659 189.4
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.