CID 1555828

N-cycloheptyl-3,5-dinitrobenzamide

Structural Information

Molecular Formula
C14H17N3O5
SMILES
C1CCCC(CC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H17N3O5/c18-14(15-11-5-3-1-2-4-6-11)10-7-12(16(19)20)9-13(8-10)17(21)22/h7-9,11H,1-6H2,(H,15,18)
InChIKey
JOYLSSQWYVHPNI-UHFFFAOYSA-N
Compound name
N-cycloheptyl-3,5-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.11682 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12410 172.4
[M+Na]+ 330.10604 172.1
[M-H]- 306.10954 178.7
[M+NH4]+ 325.15064 183.1
[M+K]+ 346.07998 168.2
[M+H-H2O]+ 290.11408 173.1
[M+HCOO]- 352.11502 193.1
[M+CH3COO]- 366.13067 195.8
[M+Na-2H]- 328.09149 176.7
[M]+ 307.11627 162.1
[M]- 307.11737 162.1
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

patents stripe