CID 53878

C 5349

Structural Information

Molecular Formula
C23H32ClN3O
SMILES
CCN(CC)CCCN(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C23H32ClN3O/c1-4-26(5-2)15-10-16-27(17-20-12-7-6-8-13-20)18-22(28)25-23-19(3)11-9-14-21(23)24/h6-9,11-14H,4-5,10,15-18H2,1-3H3,(H,25,28)
InChIKey
ZWCGMRNEZBUOIF-UHFFFAOYSA-N
Compound name
2-[benzyl-[3-(diethylamino)propyl]amino]-N-(2-chloro-6-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2234 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.23068 203.8
[M+Na]+ 424.21262 206.7
[M-H]- 400.21612 211.6
[M+NH4]+ 419.25722 215.7
[M+K]+ 440.18656 202.1
[M+H-H2O]+ 384.22066 194.1
[M+HCOO]- 446.22160 223.9
[M+CH3COO]- 460.23725 237.6
[M+Na-2H]- 422.19807 203.3
[M]+ 401.22285 209.5
[M]- 401.22395 209.5
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.