CID 3052212

Urea, 1-amidino-3-(p-cyanophenyl)-, hydrochloride

Structural Information

Molecular Formula
C9H9N5O
SMILES
C1=CC(=CC=C1C#N)NC(=O)N=C(N)N
InChI
InChI=1S/C9H9N5O/c10-5-6-1-3-7(4-2-6)13-9(15)14-8(11)12/h1-4H,(H5,11,12,13,14,15)
InChIKey
HYEAIKDWVRQERV-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08798 151.6
[M+Na]+ 226.06992 158.6
[M-H]- 202.07342 154.9
[M+NH4]+ 221.11452 167.2
[M+K]+ 242.04386 157.1
[M+H-H2O]+ 186.07796 137.6
[M+HCOO]- 248.07890 174.4
[M+CH3COO]- 262.09455 206.2
[M+Na-2H]- 224.05537 154.7
[M]+ 203.08015 142.1
[M]- 203.08125 142.1
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

patents stripe