CID 481580

2-(1-adamantoylamino)-5-methyl-benzoic acid, hydrazide

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NN
InChI
InChI=1S/C19H25N3O2/c1-11-2-3-16(15(4-11)17(23)22-20)21-18(24)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-10,20H2,1H3,(H,21,24)(H,22,23)
InChIKey
PWQKYRMZHYSIHF-UHFFFAOYSA-N
Compound name
N-[2-(hydrazinecarbonyl)-4-methylphenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.19467 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 172.6
[M+Na]+ 350.18389 172.5
[M-H]- 326.18739 169.7
[M+NH4]+ 345.22849 192.1
[M+K]+ 366.15783 169.3
[M+H-H2O]+ 310.19193 165.1
[M+HCOO]- 372.19287 179.9
[M+CH3COO]- 386.20852 178.8
[M+Na-2H]- 348.16934 180.9
[M]+ 327.19412 170.2
[M]- 327.19522 170.2
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.