CID 69475357

1533519-84-4

Structural Information

Molecular Formula
C15H13N3S
SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C=NNC4=S
InChI
InChI=1S/C15H13N3S/c19-15-17-16-9-18(15)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-10H,5-6H2,(H,17,19)
InChIKey
UFYFJMMSOUURSF-UHFFFAOYSA-N
Compound name
4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

267.083 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09028 160.2
[M+Na]+ 290.07222 174.0
[M-H]- 266.07572 167.1
[M+NH4]+ 285.11682 171.3
[M+K]+ 306.04616 165.4
[M+H-H2O]+ 250.08026 152.4
[M+HCOO]- 312.08120 177.1
[M+CH3COO]- 326.09685 172.1
[M+Na-2H]- 288.05767 163.2
[M]+ 267.08245 163.9
[M]- 267.08355 163.9
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