CID 135491727

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

Structural Information

Molecular Formula
C15H10ClN5O4
SMILES
C1=CC2=C(C(=C1)Cl)C(=C(N2)O)N=NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClN5O4/c16-10-2-1-3-11-12(10)13(14(22)18-11)19-20-15(23)17-8-4-6-9(7-5-8)21(24)25/h1-7,18,22H,(H,17,23)
InChIKey
DMPSUQGJRDUJOC-UHFFFAOYSA-N
Compound name
1-[(4-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(4-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.04214 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.04942 175.5
[M+Na]+ 382.03136 182.8
[M-H]- 358.03486 182.7
[M+NH4]+ 377.07596 188.4
[M+K]+ 398.00530 173.9
[M+H-H2O]+ 342.03940 171.9
[M+HCOO]- 404.04034 199.0
[M+CH3COO]- 418.05599 210.8
[M+Na-2H]- 380.01681 183.8
[M]+ 359.04159 177.2
[M]- 359.04269 177.2
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.