CID 5747329

3,5-dinitrobenzoic acid 2-(4-(4-morpholinylcarbonyl)phenyl)hydrazide

Structural Information

Molecular Formula
C18H17N5O7
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H17N5O7/c24-17(13-9-15(22(26)27)11-16(10-13)23(28)29)20-19-14-3-1-12(2-4-14)18(25)21-5-7-30-8-6-21/h1-4,9-11,19H,5-8H2,(H,20,24)
InChIKey
BWOOWWUOZLDFNY-UHFFFAOYSA-N
Compound name
N'-[4-(morpholine-4-carbonyl)phenyl]-3,5-dinitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1128 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12008 189.6
[M+Na]+ 438.10202 188.3
[M-H]- 414.10552 197.0
[M+NH4]+ 433.14662 192.6
[M+K]+ 454.07596 178.9
[M+H-H2O]+ 398.11006 186.8
[M+HCOO]- 460.11100 208.9
[M+CH3COO]- 474.12665 215.3
[M+Na-2H]- 436.08747 196.9
[M]+ 415.11225 182.1
[M]- 415.11335 182.1
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.