CID 9574223

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

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N/N=C/C5=CC=C(O5)C
InChI
InChI=1S/C25H29N3O3/c1-15-3-6-22(21(7-15)23(29)28-26-14-20-5-4-16(2)31-20)27-24(30)25-11-17-8-18(12-25)10-19(9-17)13-25/h3-7,14,17-19H,8-13H2,1-2H3,(H,27,30)(H,28,29)/b26-14+
InChIKey
AHUDBMHXUIGYBX-VULFUBBASA-N
Compound name
N-[4-methyl-2-[[(E)-(5-methylfuran-2-yl)methylideneamino]carbamoyl]phenyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.2209 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22818 191.0
[M+Na]+ 442.21012 190.6
[M-H]- 418.21362 193.4
[M+NH4]+ 437.25472 207.8
[M+K]+ 458.18406 187.9
[M+H-H2O]+ 402.21816 182.1
[M+HCOO]- 464.21910 199.9
[M+CH3COO]- 478.23475 197.0
[M+Na-2H]- 440.19557 197.3
[M]+ 419.22035 192.8
[M]- 419.22145 192.8
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.