CID 9579505

140835-42-3

Structural Information

Molecular Formula
C15H15ClN6O2
SMILES
C/C(=N\NC(=O)NNC(=O)NC1=CC=CC=C1Cl)/C2=CC=CC=N2
InChI
InChI=1S/C15H15ClN6O2/c1-10(12-7-4-5-9-17-12)19-21-15(24)22-20-14(23)18-13-8-3-2-6-11(13)16/h2-9H,1H3,(H2,18,20,23)(H2,21,22,24)/b19-10+
InChIKey
MPHIIVGFJMUAIK-VXLYETTFSA-N
Compound name
1-(2-chlorophenyl)-3-[[(E)-1-pyridin-2-ylethylideneamino]carbamoylamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.0945 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10178 178.9
[M+Na]+ 369.08372 183.1
[M-H]- 345.08722 185.4
[M+NH4]+ 364.12832 190.3
[M+K]+ 385.05766 179.3
[M+H-H2O]+ 329.09176 169.5
[M+HCOO]- 391.09270 201.8
[M+CH3COO]- 405.10835 221.1
[M+Na-2H]- 367.06917 184.6
[M]+ 346.09395 178.5
[M]- 346.09505 178.5
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

No patent data available for this compound.