CID 9589206

N-(aminothioxomethyl)-n-(4-ethoxyphenyl)-2-(1-methylpropylidene)hydrazinecarboximidamide hcl

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]+ 308.15395 174.9
[M+Na]+ 330.13589 177.8
[M-H]- 306.13939 180.7
[M+NH4]+ 325.18049 189.7
[M+K]+ 346.10983 176.1
[M+H-H2O]+ 290.14393 165.4
[M+HCOO]- 352.14487 196.7
[M+CH3COO]- 366.16052 223.1
[M+Na-2H]- 328.12134 173.6
[M]+ 307.14612 175.1
[M]- 307.14722 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.