CID 9574749

N-[2-amino-4-[(e)-(carbamothioylhydrazono)methyl]phenyl]acetamide

Structural Information

Molecular Formula
C10H13N5OS
SMILES
CC(=O)NC1=C(C=C(C=C1)/C=N/NC(=S)N)N
InChI
InChI=1S/C10H13N5OS/c1-6(16)14-9-3-2-7(4-8(9)11)5-13-15-10(12)17/h2-5H,11H2,1H3,(H,14,16)(H3,12,15,17)/b13-5+
InChIKey
NNPQAEDSCNFFMB-WLRTZDKTSA-N
Compound name
N-[2-amino-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.08408 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09136 154.9
[M+Na]+ 274.07330 160.1
[M-H]- 250.07680 158.9
[M+NH4]+ 269.11790 170.9
[M+K]+ 290.04724 156.4
[M+H-H2O]+ 234.08134 146.7
[M+HCOO]- 296.08228 177.1
[M+CH3COO]- 310.09793 206.6
[M+Na-2H]- 272.05875 156.2
[M]+ 251.08353 151.7
[M]- 251.08463 151.7
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

No patent data available for this compound.