CID 53880

C 5353

Structural Information

Molecular Formula
C23H33N3O
SMILES
CCN(CC)CCCN(CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C23H33N3O/c1-4-25(5-2)16-11-17-26(18-21-13-7-6-8-14-21)19-23(27)24-22-15-10-9-12-20(22)3/h6-10,12-15H,4-5,11,16-19H2,1-3H3,(H,24,27)
InChIKey
CBNITOGIDYVFET-UHFFFAOYSA-N
Compound name
2-[benzyl-[3-(diethylamino)propyl]amino]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.26236 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.26964 195.8
[M+Na]+ 390.25158 197.0
[M-H]- 366.25508 203.5
[M+NH4]+ 385.29618 207.9
[M+K]+ 406.22552 194.3
[M+H-H2O]+ 350.25962 185.2
[M+HCOO]- 412.26056 220.5
[M+CH3COO]- 426.27621 233.0
[M+Na-2H]- 388.23703 196.7
[M]+ 367.26181 198.7
[M]- 367.26291 198.7
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