CID 135429821

Nsc76429

Structural Information

Molecular Formula
C15H13N5OS
SMILES
C1=CC=C(C(=C1)/C=N/NC(=S)NC2=CC3=C(C=C2)C=NN3)O
InChI
InChI=1S/C15H13N5OS/c21-14-4-2-1-3-11(14)9-17-20-15(22)18-12-6-5-10-8-16-19-13(10)7-12/h1-9,21H,(H,16,19)(H2,18,20,22)/b17-9+
InChIKey
JPCWNKAZRZJWOG-RQZCQDPDSA-N
Compound name
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(1H-indazol-6-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.08408 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09136 165.9
[M+Na]+ 334.07330 174.2
[M-H]- 310.07680 170.5
[M+NH4]+ 329.11790 179.9
[M+K]+ 350.04724 167.2
[M+H-H2O]+ 294.08134 157.7
[M+HCOO]- 356.08228 185.6
[M+CH3COO]- 370.09793 176.5
[M+Na-2H]- 332.05875 171.9
[M]+ 311.08353 166.1
[M]- 311.08463 166.1
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.