CID 40428354

Ac-gly-lys-bna

Structural Information

Molecular Formula
C20H26N4O3
SMILES
CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C20H26N4O3/c1-14(25)22-13-19(26)24-18(8-4-5-11-21)20(27)23-17-10-9-15-6-2-3-7-16(15)12-17/h2-3,6-7,9-10,12,18H,4-5,8,11,13,21H2,1H3,(H,22,25)(H,23,27)(H,24,26)/t18-/m0/s1
InChIKey
UATMZFIYYCGFIP-SFHVURJKSA-N
Compound name
(2S)-2-[(2-acetamidoacetyl)amino]-6-amino-N-naphthalen-2-ylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.207776 188.9
[M+Na]+ 393.189718 189.9
[M-H]- 369.193224 191.4
[M+NH4]+ 388.234323 199.9
[M+K]+ 409.163658 187.2
[M+H-H2O]+ 353.197760 179.9
[M+HCOO]- 415.198701 210.2
[M+CH3COO]- 429.214351 228.5
[M+Na-2H]- 391.175166 190.0
[M]+ 370.19995142 187.4
[M]- 370.20104858 187.4
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.