CID 3748824

624726-04-1

Structural Information

Molecular Formula
C15H9ClN4O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)N=NC(=O)C3=C(C=C(C=C3)Cl)O
InChI
InChI=1S/C15H9ClN4O5/c16-7-1-3-9(12(21)5-7)14(22)19-18-13-10-6-8(20(24)25)2-4-11(10)17-15(13)23/h1-6,17,21,23H
InChIKey
IXZQWNMQTWAPNE-UHFFFAOYSA-N
Compound name
4-chloro-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.02615 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.03343 175.3
[M+Na]+ 383.01537 183.6
[M-H]- 359.01887 181.6
[M+NH4]+ 378.05997 188.0
[M+K]+ 398.98931 174.6
[M+H-H2O]+ 343.02341 172.4
[M+HCOO]- 405.02435 196.5
[M+CH3COO]- 419.04000 207.4
[M+Na-2H]- 381.00082 182.1
[M]+ 360.02560 177.8
[M]- 360.02670 177.8
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.