CID 9589541

119033-99-7

Structural Information

Molecular Formula
C13H13ClN4O
SMILES
CN1C=CC=C1/C=N/NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H13ClN4O/c1-18-7-3-6-12(18)9-15-17-13(19)16-11-5-2-4-10(14)8-11/h2-9H,1H3,(H2,16,17,19)/b15-9+
InChIKey
RGKYEMLJECEMKL-OQLLNIDSSA-N
Compound name
1-(3-chlorophenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0778 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08508 163.0
[M+Na]+ 299.06702 170.7
[M-H]- 275.07052 170.0
[M+NH4]+ 294.11162 180.2
[M+K]+ 315.04096 165.9
[M+H-H2O]+ 259.07506 154.7
[M+HCOO]- 321.07600 186.7
[M+CH3COO]- 335.09165 204.2
[M+Na-2H]- 297.05247 167.6
[M]+ 276.07725 164.8
[M]- 276.07835 164.8
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

No patent data available for this compound.