CID 135509917

[(z)-(4-chloro-2-oxo-indolin-3-ylidene)amino]urea

Structural Information

Molecular Formula
C9H7ClN4O2
SMILES
C1=CC2=C(C(=C1)Cl)C(=C(N2)O)N=NC(=O)N
InChI
InChI=1S/C9H7ClN4O2/c10-4-2-1-3-5-6(4)7(8(15)12-5)13-14-9(11)16/h1-3,12,15H,(H2,11,16)
InChIKey
CKZRFRVTGWSGBA-UHFFFAOYSA-N
Compound name
(4-chloro-2-hydroxy-1H-indol-3-yl)iminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.02576 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03304 147.1
[M+Na]+ 261.01498 158.0
[M-H]- 237.01848 151.3
[M+NH4]+ 256.05958 166.6
[M+K]+ 276.98892 153.4
[M+H-H2O]+ 221.02302 141.1
[M+HCOO]- 283.02396 170.2
[M+CH3COO]- 297.03961 194.9
[M+Na-2H]- 259.00043 153.5
[M]+ 238.02521 149.4
[M]- 238.02631 149.4
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.