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]+ 371.20778 190.3
[M+Na]+ 393.18972 196.1
[M+NH4]+ 388.23432 194.6
[M+K]+ 409.16366 191.6
[M-H]- 369.19322 192.1
[M+Na-2H]- 391.17517 192.6
[M]+ 370.19995 190.9
[M]- 370.20105 190.9
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.