CID 5275091

2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-n-tetralin-5-yl-acetamide

Structural Information

Molecular Formula
C23H21N5OS
SMILES
C1CCC2=C(C1)C=CC=C2NC(=O)CSC3=NN=NN3C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H21N5OS/c29-22(24-20-13-5-9-16-7-1-3-11-18(16)20)15-30-23-25-26-27-28(23)21-14-6-10-17-8-2-4-12-19(17)21/h2,4-6,8-10,12-14H,1,3,7,11,15H2,(H,24,29)
InChIKey
CLIMBXPJBYKDGC-UHFFFAOYSA-N
Compound name
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14667 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.15395 194.9
[M+Na]+ 438.13589 202.9
[M-H]- 414.13939 200.9
[M+NH4]+ 433.18049 203.3
[M+K]+ 454.10983 194.6
[M+H-H2O]+ 398.14393 183.8
[M+HCOO]- 460.14487 206.8
[M+CH3COO]- 474.16052 202.8
[M+Na-2H]- 436.12134 198.3
[M]+ 415.14612 196.2
[M]- 415.14722 196.2
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.