CID 30760

Cloguanamil

Structural Information

Molecular Formula
C9H8ClN5O
SMILES
C1=CC(=C(C=C1NC(=O)N=C(N)N)Cl)C#N
InChI
InChI=1S/C9H8ClN5O/c10-7-3-6(2-1-5(7)4-11)14-9(16)15-8(12)13/h1-3H,(H5,12,13,14,15,16)
InChIKey
FEYBPSKVORXMON-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-cyanophenyl)-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

55
Patents

237.04173 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04901 160.0
[M+Na]+ 260.03095 168.7
[M-H]- 236.03445 163.4
[M+NH4]+ 255.07555 175.4
[M+K]+ 276.00489 165.3
[M+H-H2O]+ 220.03899 147.3
[M+HCOO]- 282.03993 178.8
[M+CH3COO]- 296.05558 210.6
[M+Na-2H]- 258.01640 161.8
[M]+ 237.04118 152.8
[M]- 237.04228 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe