CID 481581

2-(1-adamantoylamino)-4,5-dimethoxy-benzoic acid, hydrazide

Structural Information

Molecular Formula
C20H27N3O4
SMILES
COC1=C(C=C(C(=C1)C(=O)NN)NC(=O)C23CC4CC(C2)CC(C4)C3)OC
InChI
InChI=1S/C20H27N3O4/c1-26-16-6-14(18(24)23-21)15(7-17(16)27-2)22-19(25)20-8-11-3-12(9-20)5-13(4-11)10-20/h6-7,11-13H,3-5,8-10,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKey
HBUSPCMVXIBAKP-UHFFFAOYSA-N
Compound name
N-[2-(hydrazinecarbonyl)-4,5-dimethoxyphenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.20016 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20744 182.5
[M+Na]+ 396.18938 182.1
[M-H]- 372.19288 179.4
[M+NH4]+ 391.23398 200.0
[M+K]+ 412.16332 180.5
[M+H-H2O]+ 356.19742 174.8
[M+HCOO]- 418.19836 189.4
[M+CH3COO]- 432.21401 188.1
[M+Na-2H]- 394.17483 190.4
[M]+ 373.19961 183.5
[M]- 373.20071 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.