CID 135611772

Brn 5832560

Structural Information

Molecular Formula
C14H13N7O2S
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC(=CC3=NC=NN32)N)O
InChI
InChI=1S/C14H13N7O2S/c15-11-5-12-16-8-18-21(12)14(19-11)24-7-13(23)20-17-6-9-3-1-2-4-10(9)22/h1-6,8,22H,7,15H2,(H,20,23)/b17-6+
InChIKey
DGJLANGDYNISJZ-UBKPWBPPSA-N
Compound name
2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.08514 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09242 173.4
[M+Na]+ 366.07436 183.2
[M-H]- 342.07786 176.9
[M+NH4]+ 361.11896 183.9
[M+K]+ 382.04830 176.9
[M+H-H2O]+ 326.08240 164.1
[M+HCOO]- 388.08334 191.9
[M+CH3COO]- 402.09899 183.5
[M+Na-2H]- 364.05981 178.9
[M]+ 343.08459 176.8
[M]- 343.08569 176.8
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.