CID 3052210

Urea, 1-amidino-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C8H10N4O
SMILES
C1=CC=C(C=C1)NC(=O)N=C(N)N
InChI
InChI=1S/C8H10N4O/c9-7(10)12-8(13)11-6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12,13)
InChIKey
AKLIBMCMOOPIEM-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

178.08546 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09274 136.9
[M+Na]+ 201.07468 142.0
[M-H]- 177.07818 141.0
[M+NH4]+ 196.11928 155.5
[M+K]+ 217.04862 140.8
[M+H-H2O]+ 161.08272 129.6
[M+HCOO]- 223.08366 164.7
[M+CH3COO]- 237.09931 189.7
[M+Na-2H]- 199.06013 142.7
[M]+ 178.08491 131.8
[M]- 178.08601 131.8
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

patents stripe