CID 5275085

N-(2-morpholinophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide

Structural Information

Molecular Formula
C23H22N6O2S
SMILES
C1COCCN1C2=CC=CC=C2NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H22N6O2S/c30-22(24-19-9-3-4-10-21(19)28-12-14-31-15-13-28)16-32-23-25-26-27-29(23)20-11-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H,24,30)
InChIKey
GJHRHJRSYMWJAQ-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1525 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.15978 201.3
[M+Na]+ 469.14172 208.5
[M-H]- 445.14522 208.8
[M+NH4]+ 464.18632 204.4
[M+K]+ 485.11566 201.5
[M+H-H2O]+ 429.14976 189.1
[M+HCOO]- 491.15070 211.4
[M+CH3COO]- 505.16635 208.3
[M+Na-2H]- 467.12717 203.2
[M]+ 446.15195 202.0
[M]- 446.15305 202.0
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.