CID 29671

19579-46-5

Structural Information

Molecular Formula
C10H15N5O
SMILES
CCOC1=CC=C(C=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C10H15N5O/c1-2-16-8-5-3-7(4-6-8)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H6,11,12,13,14,15)
InChIKey
CHEQLSSMGDBGBI-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

20
Patents

221.12766 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13494 149.2
[M+Na]+ 244.11688 153.9
[M-H]- 220.12038 154.2
[M+NH4]+ 239.16148 166.5
[M+K]+ 260.09082 153.1
[M+H-H2O]+ 204.12492 140.9
[M+HCOO]- 266.12586 178.2
[M+CH3COO]- 280.14151 204.3
[M+Na-2H]- 242.10233 153.0
[M]+ 221.12711 145.3
[M]- 221.12821 145.3
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.