CID 9570557

9-methyl-9h-carbazole-3-carboxaldehyde (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C20H15N5O4
SMILES
CN1C2=C(C=C(C=C2)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C41
InChI
InChI=1S/C20H15N5O4/c1-23-18-5-3-2-4-15(18)16-10-13(6-9-19(16)23)12-21-22-17-8-7-14(24(26)27)11-20(17)25(28)29/h2-12,22H,1H3/b21-12+
InChIKey
KNYLQBOSHBIBTI-CIAFOILYSA-N
Compound name
N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1124 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.11968 186.8
[M+Na]+ 412.10162 191.7
[M-H]- 388.10512 195.5
[M+NH4]+ 407.14622 197.7
[M+K]+ 428.07556 178.8
[M+H-H2O]+ 372.10966 185.1
[M+HCOO]- 434.11060 213.0
[M+CH3COO]- 448.12625 217.4
[M+Na-2H]- 410.08707 197.5
[M]+ 389.11185 186.0
[M]- 389.11295 186.0
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.