CID 9584601

Ccg-47360

Structural Information

Molecular Formula
C9H14N4O
SMILES
C/C=C/C=N/NC(=O)N/N=C/C=C/C
InChI
InChI=1S/C9H14N4O/c1-3-5-7-10-12-9(14)13-11-8-6-4-2/h3-8H,1-2H3,(H2,12,13,14)/b5-3+,6-4+,10-7+,11-8+
InChIKey
HPRSHVDHVRKXRU-FPTHMUSISA-N
Compound name
1,3-bis[(E)-[(E)-but-2-enylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 144.4
[M+Na]+ 217.105978 149.3
[M-H]- 193.109484 147.1
[M+NH4]+ 212.150583 164.0
[M+K]+ 233.079918 148.1
[M+H-H2O]+ 177.114020 137.2
[M+HCOO]- 239.114961 174.4
[M+CH3COO]- 253.130611 195.6
[M+Na-2H]- 215.091426 150.5
[M]+ 194.11621142 144.1
[M]- 194.11730858 144.1
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.