CID 11821044

2-methyl-1-[(e)-1-(p-tolyl)ethylideneamino]isothiourea

Structural Information

Molecular Formula
C11H15N3S
SMILES
CC1=CC=C(C=C1)/C(=N/N=C(/N)\SC)/C
InChI
InChI=1S/C11H15N3S/c1-8-4-6-10(7-5-8)9(2)13-14-11(12)15-3/h4-7H,1-3H3,(H2,12,14)/b13-9+
InChIKey
BWFVXIPCQUXZKP-UKTHLTGXSA-N
Compound name
methyl N'-[(E)-1-(4-methylphenyl)ethylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09866 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10594 150.4
[M+Na]+ 244.08788 156.5
[M-H]- 220.09138 156.3
[M+NH4]+ 239.13248 169.6
[M+K]+ 260.06182 154.0
[M+H-H2O]+ 204.09592 142.9
[M+HCOO]- 266.09686 172.4
[M+CH3COO]- 280.11251 199.4
[M+Na-2H]- 242.07333 152.3
[M]+ 221.09811 151.1
[M]- 221.09921 151.1
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.