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

2
Patents

203.0807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.087976 151.6
[M+Na]+ 226.069918 158.6
[M-H]- 202.073424 154.9
[M+NH4]+ 221.114523 167.2
[M+K]+ 242.043858 157.1
[M+H-H2O]+ 186.077960 137.6
[M+HCOO]- 248.078901 174.4
[M+CH3COO]- 262.094551 206.2
[M+Na-2H]- 224.055366 154.7
[M]+ 203.08015142 142.1
[M]- 203.08124858 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