CID 4328731

100930-00-5

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 176.4
[M+Na]+ 336.16824 184.3
[M+NH4]+ 331.21284 182.4
[M+K]+ 352.14218 179.3
[M-H]- 312.17174 178.8
[M+Na-2H]- 334.15369 180.0
[M]+ 313.17847 177.7
[M]- 313.17957 177.7
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

No patent data available for this compound.