CID 3057107

73953-79-4

Structural Information

Molecular Formula
C7H13N5O
SMILES
CCC1=NN=C(N1NC(=O)N)CC
InChI
InChI=1S/C7H13N5O/c1-3-5-9-10-6(4-2)12(5)11-7(8)13/h3-4H2,1-2H3,(H3,8,11,13)
InChIKey
QEBCMCUASZDEOJ-UHFFFAOYSA-N
Compound name
(3,5-diethyl-1,2,4-triazol-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.11201 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.119286 140.4
[M+Na]+ 206.101228 148.8
[M-H]- 182.104734 140.3
[M+NH4]+ 201.145833 157.6
[M+K]+ 222.075168 147.2
[M+H-H2O]+ 166.109270 132.2
[M+HCOO]- 228.110211 163.3
[M+CH3COO]- 242.125861 186.4
[M+Na-2H]- 204.086676 144.4
[M]+ 183.11146142 140.1
[M]- 183.11255858 140.1
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.