CID 4328731

2-amino-4-methyl-n-[2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CC(C)CC(C(=O)NCC(=O)NC1=CC2=CC=CC=C2C=C1)N
InChI
InChI=1S/C18H23N3O2/c1-12(2)9-16(19)18(23)20-11-17(22)21-15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,12,16H,9,11,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
REBHTGLALGGOMA-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

313.17902 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 176.2
[M+Na]+ 336.16824 178.8
[M-H]- 312.17174 179.2
[M+NH4]+ 331.21284 190.1
[M+K]+ 352.14218 176.0
[M+H-H2O]+ 296.17628 168.2
[M+HCOO]- 358.17722 196.8
[M+CH3COO]- 372.19287 216.3
[M+Na-2H]- 334.15369 177.5
[M]+ 313.17847 174.0
[M]- 313.17957 174.0
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.