CID 9589206

Hydrazinecarboximidamide, n-(aminothioxomethyl)-n-(4-ethoxyphenyl)-2-(1-methylpropylidene)-, monohydrochloride

Structural Information

Molecular Formula
C14H21N5OS
SMILES
CC/C(=N/N=C(\N)/N(C1=CC=C(C=C1)OCC)C(=S)N)/C
InChI
InChI=1S/C14H21N5OS/c1-4-10(3)17-18-13(15)19(14(16)21)11-6-8-12(9-7-11)20-5-2/h6-9H,4-5H2,1-3H3,(H2,15,18)(H2,16,21)/b17-10+
InChIKey
ICGMZCATJWEESX-LICLKQGHSA-N
Compound name
1-[(E)-N'-[(E)-butan-2-ylideneamino]carbamimidoyl]-1-(4-ethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.153946 174.9
[M+Na]+ 330.135888 177.8
[M-H]- 306.139394 180.7
[M+NH4]+ 325.180493 189.7
[M+K]+ 346.109828 176.1
[M+H-H2O]+ 290.143930 165.4
[M+HCOO]- 352.144871 196.7
[M+CH3COO]- 366.160521 223.1
[M+Na-2H]- 328.121336 173.6
[M]+ 307.14612142 175.1
[M]- 307.14721858 175.1
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.