CID 11618308

2-[methyl-[1-(1-naphthyl)tetrazol-5-yl]amino]-n-(2-nitrophenyl)acetamide

Structural Information

Molecular Formula
C20H17N7O3
SMILES
CN(CC(=O)NC1=CC=CC=C1[N+](=O)[O-])C2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H17N7O3/c1-25(13-19(28)21-16-10-4-5-11-18(16)27(29)30)20-22-23-24-26(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,13H2,1H3,(H,21,28)
InChIKey
ASXMXDXLMBPLDV-UHFFFAOYSA-N
Compound name
2-[methyl-(1-naphthalen-1-yltetrazol-5-yl)amino]-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.13928 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14656 187.9
[M+Na]+ 426.12850 193.1
[M-H]- 402.13200 195.7
[M+NH4]+ 421.17310 194.0
[M+K]+ 442.10244 184.3
[M+H-H2O]+ 386.13654 179.5
[M+HCOO]- 448.13748 210.5
[M+CH3COO]- 462.15313 223.4
[M+Na-2H]- 424.11395 197.2
[M]+ 403.13873 188.4
[M]- 403.13983 188.4
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.