CID 202806

13349-37-6

Structural Information

Molecular Formula
C24H35N3O2
SMILES
CCCNC(=O)NC(=O)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C24H35N3O2/c1-6-16-25-23(29)26-22(28)24(18(2)3,15-10-17-27(4)5)21-14-9-12-19-11-7-8-13-20(19)21/h7-9,11-14,18H,6,10,15-17H2,1-5H3,(H2,25,26,28,29)
InChIKey
DZBUMGLHZJALAE-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-yl-N-(propylcarbamoyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.27292 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.28020 202.7
[M+Na]+ 420.26214 203.4
[M-H]- 396.26564 206.6
[M+NH4]+ 415.30674 214.2
[M+K]+ 436.23608 201.2
[M+H-H2O]+ 380.27018 193.9
[M+HCOO]- 442.27112 221.7
[M+CH3COO]- 456.28677 236.6
[M+Na-2H]- 418.24759 203.3
[M]+ 397.27237 204.9
[M]- 397.27347 204.9
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

No patent data available for this compound.