CID 9588180

72606-37-2

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]+ 338.222696 185.3
[M+Na]+ 360.204638 190.7
[M-H]- 336.208144 193.1
[M+NH4]+ 355.249243 199.1
[M+K]+ 376.178578 186.1
[M+H-H2O]+ 320.212680 175.9
[M+HCOO]- 382.213621 211.3
[M+CH3COO]- 396.229271 225.2
[M+Na-2H]- 358.190086 187.0
[M]+ 337.21487142 187.3
[M]- 337.21596858 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.