CID 9570792

Brn 2173331

Structural Information

Molecular Formula
C24H33N3O
SMILES
CC1=CC(=C(C(=C1C)/C=N/NC(=O)CCN(C)C(C)CC2=CC=CC=C2)C)C
InChI
InChI=1S/C24H33N3O/c1-17-14-18(2)21(5)23(20(17)4)16-25-26-24(28)12-13-27(6)19(3)15-22-10-8-7-9-11-22/h7-11,14,16,19H,12-13,15H2,1-6H3,(H,26,28)/b25-16+
InChIKey
ZSBNCNXIPBKCHW-PCLIKHOPSA-N
Compound name
3-[methyl(1-phenylpropan-2-yl)amino]-N-[(E)-(2,3,5,6-tetramethylphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.26236 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.26964 199.5
[M+Na]+ 402.25158 203.4
[M-H]- 378.25508 208.3
[M+NH4]+ 397.29618 212.1
[M+K]+ 418.22552 200.2
[M+H-H2O]+ 362.25962 189.5
[M+HCOO]- 424.26056 224.0
[M+CH3COO]- 438.27621 238.3
[M+Na-2H]- 400.23703 197.6
[M]+ 379.26181 203.2
[M]- 379.26291 203.2
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.