CID 5747323

Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide

Structural Information

Molecular Formula
C19H20N6O6
SMILES
CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H20N6O6/c1-22-6-8-23(9-7-22)19(27)13-2-4-15(5-3-13)20-21-18(26)14-10-16(24(28)29)12-17(11-14)25(30)31/h2-5,10-12,20H,6-9H2,1H3,(H,21,26)
InChIKey
WKTQZEFKBGUGEE-UHFFFAOYSA-N
Compound name
N'-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3,5-dinitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.14444 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15172 194.5
[M+Na]+ 451.13366 204.7
[M+NH4]+ 446.17826 197.9
[M+K]+ 467.10760 205.9
[M-H]- 427.13716 200.5
[M+Na-2H]- 449.11911 199.7
[M]+ 428.14389 196.8
[M]- 428.14499 196.8
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.