CID 3789101

(e)-n'-(5-nitro-2-oxoindolin-3-ylidene)hexanehydrazide

Structural Information

Molecular Formula
C14H16N4O4
SMILES
CCCCCC(=O)N=NC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H16N4O4/c1-2-3-4-5-12(19)16-17-13-10-8-9(18(21)22)6-7-11(10)15-14(13)20/h6-8,15,20H,2-5H2,1H3
InChIKey
JWHRRKNXOIGTOI-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

304.11716 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 165.9
[M+Na]+ 327.10638 172.5
[M-H]- 303.10988 169.7
[M+NH4]+ 322.15098 181.0
[M+K]+ 343.08032 165.3
[M+H-H2O]+ 287.11442 162.6
[M+HCOO]- 349.11536 192.2
[M+CH3COO]- 363.13101 202.4
[M+Na-2H]- 325.09183 172.9
[M]+ 304.11661 167.7
[M]- 304.11771 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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