CID 3000675

Rti1205-1-1

Structural Information

Molecular Formula
C12H11N3OS
SMILES
CC1=C(C2=CC=CC=C2C(=C1)N=NC(=S)N)O
InChI
InChI=1S/C12H11N3OS/c1-7-6-10(14-15-12(13)17)8-4-2-3-5-9(8)11(7)16/h2-6,16H,1H3,(H2,13,17)
InChIKey
UCETUOPZQQBVMH-UHFFFAOYSA-N
Compound name
(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06229 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06957 150.9
[M+Na]+ 268.05151 159.5
[M-H]- 244.05501 156.8
[M+NH4]+ 263.09611 169.8
[M+K]+ 284.02545 155.3
[M+H-H2O]+ 228.05955 144.0
[M+HCOO]- 290.06049 172.3
[M+CH3COO]- 304.07614 201.7
[M+Na-2H]- 266.03696 155.6
[M]+ 245.06174 152.0
[M]- 245.06284 152.0
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

No patent data available for this compound.