CID 3805348

(carbamothioylamino)urea

Structural Information

Molecular Formula
C2H6N4OS
SMILES
C(=O)(N)NNC(=S)N
InChI
InChI=1S/C2H6N4OS/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
InChIKey
NCXADAULCYRZML-UHFFFAOYSA-N
Compound name
(carbamothioylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

237
Patents

134.02623 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.033506 124.3
[M+Na]+ 157.015448 129.7
[M-H]- 133.018954 123.8
[M+NH4]+ 152.060053 144.3
[M+K]+ 172.989388 128.3
[M+H-H2O]+ 117.023490 117.9
[M+HCOO]- 179.024431 144.6
[M+CH3COO]- 193.040081 177.6
[M+Na-2H]- 155.000896 126.5
[M]+ 134.02568142 119.0
[M]- 134.02677858 119.0
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

patents stripe