CID 3681560

328113-81-1

Structural Information

Molecular Formula
C18H14Cl2N4O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)N=NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl2N4O5/c19-10-3-6-15(13(20)8-10)29-7-1-2-16(25)22-23-17-12-9-11(24(27)28)4-5-14(12)21-18(17)26/h3-6,8-9,21,26H,1-2,7H2
InChIKey
IQLFSIPXKOUOAF-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenoxy)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.03412 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04140 197.9
[M+Na]+ 459.02334 205.2
[M-H]- 435.02684 203.9
[M+NH4]+ 454.06794 208.5
[M+K]+ 474.99728 195.7
[M+H-H2O]+ 419.03138 194.7
[M+HCOO]- 481.03232 214.2
[M+CH3COO]- 495.04797 222.5
[M+Na-2H]- 457.00879 202.3
[M]+ 436.03357 204.3
[M]- 436.03467 204.3
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.