CID 15956046

N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)-1-naphthyl]tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C21H19ClN6OS
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)N3C(=NN=N3)SCC(=O)NC4=CC=CC=C4Cl
InChI
InChI=1S/C21H19ClN6OS/c1-27(2)18-11-12-19(15-8-4-3-7-14(15)18)28-21(24-25-26-28)30-13-20(29)23-17-10-6-5-9-16(17)22/h3-12H,13H2,1-2H3,(H,23,29)
InChIKey
CSFCJRHAZQFWEW-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[1-[4-(dimethylamino)naphthalen-1-yl]tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.10297 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.11025 200.4
[M+Na]+ 461.09219 210.5
[M-H]- 437.09569 208.2
[M+NH4]+ 456.13679 208.8
[M+K]+ 477.06613 202.9
[M+H-H2O]+ 421.10023 189.7
[M+HCOO]- 483.10117 212.7
[M+CH3COO]- 497.11682 209.6
[M+Na-2H]- 459.07764 202.8
[M]+ 438.10242 208.3
[M]- 438.10352 208.3
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.