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]+ 184.11929 140.4
[M+Na]+ 206.10123 148.8
[M-H]- 182.10473 140.3
[M+NH4]+ 201.14583 157.6
[M+K]+ 222.07517 147.2
[M+H-H2O]+ 166.10927 132.2
[M+HCOO]- 228.11021 163.3
[M+CH3COO]- 242.12586 186.4
[M+Na-2H]- 204.08668 144.4
[M]+ 183.11146 140.1
[M]- 183.11256 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.