CID 2735066

Hydrazinecarboximidamide, 2-(1-methylethylidene)-n-[(phenylamino)thioxomethyl]-

Structural Information

Molecular Formula
C11H15N5S
SMILES
CC(=NNC(=NC(=S)NC1=CC=CC=C1)N)C
InChI
InChI=1S/C11H15N5S/c1-8(2)15-16-10(12)14-11(17)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H4,12,13,14,16,17)
InChIKey
FWFDSNTZHZXYAD-UHFFFAOYSA-N
Compound name
1-[amino-(2-propan-2-ylidenehydrazinyl)methylidene]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

249.10481 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11209 157.2
[M+Na]+ 272.09403 160.7
[M-H]- 248.09753 162.4
[M+NH4]+ 267.13863 173.9
[M+K]+ 288.06797 158.1
[M+H-H2O]+ 232.10207 148.4
[M+HCOO]- 294.10301 180.1
[M+CH3COO]- 308.11866 207.3
[M+Na-2H]- 270.07948 159.6
[M]+ 249.10426 154.3
[M]- 249.10536 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe