CID 59363

C 5351

Structural Information

Molecular Formula
C22H31N3O
SMILES
CCN(CC)CCN(CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C22H31N3O/c1-4-24(5-2)15-16-25(17-20-12-7-6-8-13-20)18-22(26)23-21-14-10-9-11-19(21)3/h6-14H,4-5,15-18H2,1-3H3,(H,23,26)
InChIKey
OKRHUZMJDXLDRI-UHFFFAOYSA-N
Compound name
2-[benzyl-[2-(diethylamino)ethyl]amino]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.25398 191.3
[M+Na]+ 376.23592 192.9
[M-H]- 352.23942 199.2
[M+NH4]+ 371.28052 204.0
[M+K]+ 392.20986 190.4
[M+H-H2O]+ 336.24396 180.9
[M+HCOO]- 398.24490 216.3
[M+CH3COO]- 412.26055 230.1
[M+Na-2H]- 374.22137 192.7
[M]+ 353.24615 193.9
[M]- 353.24725 193.9
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

patents stripe