CID 11821045

1-[(e)-1-(4-methoxyphenyl)ethylideneamino]-2-methyl-isothiourea

Structural Information

Molecular Formula
C11H15N3OS
SMILES
C/C(=N\N=C(\N)/SC)/C1=CC=C(C=C1)OC
InChI
InChI=1S/C11H15N3OS/c1-8(13-14-11(12)16-3)9-4-6-10(15-2)7-5-9/h4-7H,1-3H3,(H2,12,14)/b13-8+
InChIKey
QTQDLBQPRUZURY-MDWZMJQESA-N
Compound name
methyl N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09358 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10086 153.8
[M+Na]+ 260.08280 159.7
[M-H]- 236.08630 159.6
[M+NH4]+ 255.12740 172.3
[M+K]+ 276.05674 157.6
[M+H-H2O]+ 220.09084 146.0
[M+HCOO]- 282.09178 176.0
[M+CH3COO]- 296.10743 201.5
[M+Na-2H]- 258.06825 155.7
[M]+ 237.09303 155.8
[M]- 237.09413 155.8
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.