CID 5468945

Nsc679575

Structural Information

Molecular Formula
C15H19N5O2
SMILES
C1CN2CC\3CN1CC(C2)(/C3=N/N)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C15H19N5O2/c16-17-14-11-7-18-5-6-19(8-11)10-15(14,9-18)12-1-3-13(4-2-12)20(21)22/h1-4,11H,5-10,16H2/b17-14+
InChIKey
ONFJPDDOPCLAIT-SAPNQHFASA-N
Compound name
(E)-[1-(4-nitrophenyl)-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15387 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16115 176.1
[M+Na]+ 324.14309 183.2
[M-H]- 300.14659 178.3
[M+NH4]+ 319.18769 193.2
[M+K]+ 340.11703 176.5
[M+H-H2O]+ 284.15113 174.8
[M+HCOO]- 346.15207 186.2
[M+CH3COO]- 360.16772 217.5
[M+Na-2H]- 322.12854 187.7
[M]+ 301.15332 172.8
[M]- 301.15442 172.8
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.