CID 3080431

Brn 4335580

Structural Information

Molecular Formula
C23H31N3O3
SMILES
CCN(CC)C(C)C(=O)NNC(=O)C(C1=CC=CC(=C1)C)(C2=CC=CC(=C2)C)O
InChI
InChI=1S/C23H31N3O3/c1-6-26(7-2)18(5)21(27)24-25-22(28)23(29,19-12-8-10-16(3)14-19)20-13-9-11-17(4)15-20/h8-15,18,29H,6-7H2,1-5H3,(H,24,27)(H,25,28)
InChIKey
NJHICUVZSQSTLK-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.23654 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.24382 199.4
[M+Na]+ 420.22576 200.9
[M-H]- 396.22926 205.2
[M+NH4]+ 415.27036 209.1
[M+K]+ 436.19970 199.0
[M+H-H2O]+ 380.23380 190.3
[M+HCOO]- 442.23474 219.1
[M+CH3COO]- 456.25039 233.1
[M+Na-2H]- 418.21121 198.9
[M]+ 397.23599 199.9
[M]- 397.23709 199.9
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.