CID 135461217

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

Structural Information

Molecular Formula
C15H10Cl2N4O2
SMILES
C1=CC=C(C(=C1)NC(=O)N=NC2=C(NC3=C2C(=CC=C3)Cl)O)Cl
InChI
InChI=1S/C15H10Cl2N4O2/c16-8-4-1-2-6-10(8)19-15(23)21-20-13-12-9(17)5-3-7-11(12)18-14(13)22/h1-7,18,22H,(H,19,23)
InChIKey
QHKVJYQFYMHSNV-UHFFFAOYSA-N
Compound name
1-[(4-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(2-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.01807 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.02535 176.4
[M+Na]+ 371.00729 187.2
[M-H]- 347.01079 183.2
[M+NH4]+ 366.05189 191.9
[M+K]+ 386.98123 180.2
[M+H-H2O]+ 331.01533 169.3
[M+HCOO]- 393.01627 194.2
[M+CH3COO]- 407.03192 187.9
[M+Na-2H]- 368.99274 181.4
[M]+ 348.01752 181.2
[M]- 348.01862 181.2
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.