CID 354295

Nsc605443

Structural Information

Molecular Formula
C14H17N5O4
SMILES
C1=CC2C3C(C1C4C2C(=O)NC4=O)C(C3C(=O)NN)C(=O)NN
InChI
InChI=1S/C14H17N5O4/c15-18-13(22)9-5-3-1-2-4(6(5)10(9)14(23)19-16)8-7(3)11(20)17-12(8)21/h1-10H,15-16H2,(H,18,22)(H,19,23)(H,17,20,21)
InChIKey
ZRRWSUILBBSPEO-UHFFFAOYSA-N
Compound name
3,5-dioxo-4-azatetracyclo[5.4.2.02,6.08,11]tridec-12-ene-9,10-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12805 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13533 180.5
[M+Na]+ 342.11727 180.8
[M-H]- 318.12077 178.6
[M+NH4]+ 337.16187 190.5
[M+K]+ 358.09121 182.6
[M+H-H2O]+ 302.12531 168.3
[M+HCOO]- 364.12625 189.4
[M+CH3COO]- 378.14190 224.9
[M+Na-2H]- 340.10272 181.4
[M]+ 319.12750 184.8
[M]- 319.12860 184.8
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.