CID 2265468

Schembl6279104

Structural Information

Molecular Formula
C19H15N5OS
SMILES
C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H15N5OS/c25-18(20-15-9-2-1-3-10-15)13-26-19-21-22-23-24(19)17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,20,25)
InChIKey
MCOBRCSJMYBCEQ-UHFFFAOYSA-N
Compound name
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

361.09973 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10701 181.4
[M+Na]+ 384.08895 191.3
[M-H]- 360.09245 187.7
[M+NH4]+ 379.13355 191.4
[M+K]+ 400.06289 183.6
[M+H-H2O]+ 344.09699 170.9
[M+HCOO]- 406.09793 197.8
[M+CH3COO]- 420.11358 191.4
[M+Na-2H]- 382.07440 186.2
[M]+ 361.09918 185.0
[M]- 361.10028 185.0
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

patents stripe