CID 9588180

N-(2-phenylethyl)glycine ((2,3,5,6-tetramethylphenyl)methylene)hydrazide

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC1=CC(=C(C(=C1C)/C=N/NC(=O)CNCCC2=CC=CC=C2)C)C
InChI
InChI=1S/C21H27N3O/c1-15-12-16(2)18(4)20(17(15)3)13-23-24-21(25)14-22-11-10-19-8-6-5-7-9-19/h5-9,12-13,22H,10-11,14H2,1-4H3,(H,24,25)/b23-13+
InChIKey
AXSRPRKNMKGLAT-YDZHTSKRSA-N
Compound name
2-(2-phenylethylamino)-N-[(E)-(2,3,5,6-tetramethylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.3
[M+Na]+ 360.20464 190.7
[M-H]- 336.20814 193.1
[M+NH4]+ 355.24924 199.1
[M+K]+ 376.17858 186.1
[M+H-H2O]+ 320.21268 175.9
[M+HCOO]- 382.21362 211.3
[M+CH3COO]- 396.22927 225.2
[M+Na-2H]- 358.19009 187.0
[M]+ 337.21487 187.3
[M]- 337.21597 187.3
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.