CID 215828

36398-84-2

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CC1C2CCC(C2)C1CN(CCO)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H24N2O4/c1-12-14-2-3-15(10-14)17(12)11-19(8-9-21)18(22)13-4-6-16(7-5-13)20(23)24/h4-7,12,14-15,17,21H,2-3,8-11H2,1H3
InChIKey
XVSCWMFAGQJBIP-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 180.4
[M+Na]+ 355.16282 182.7
[M-H]- 331.16632 185.8
[M+NH4]+ 350.20742 197.6
[M+K]+ 371.13676 176.3
[M+H-H2O]+ 315.17086 178.8
[M+HCOO]- 377.17180 200.5
[M+CH3COO]- 391.18745 207.6
[M+Na-2H]- 353.14827 180.7
[M]+ 332.17305 178.6
[M]- 332.17415 178.6
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.