CID 7019854

Ac-lys-ala-bna

Structural Information

Molecular Formula
C21H28N4O3
SMILES
C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CCCCN)NC(=O)C
InChI
InChI=1S/C21H28N4O3/c1-14(23-21(28)19(24-15(2)26)9-5-6-12-22)20(27)25-18-11-10-16-7-3-4-8-17(16)13-18/h3-4,7-8,10-11,13-14,19H,5-6,9,12,22H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)/t14-,19-/m0/s1
InChIKey
XUIFVETURNJJLW-LIRRHRJNSA-N
Compound name
(2S)-2-acetamido-6-amino-N-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.21616 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22344 194.3
[M+Na]+ 407.20538 194.5
[M-H]- 383.20888 196.6
[M+NH4]+ 402.24998 204.6
[M+K]+ 423.17932 192.3
[M+H-H2O]+ 367.21342 185.3
[M+HCOO]- 429.21436 214.2
[M+CH3COO]- 443.23001 232.4
[M+Na-2H]- 405.19083 193.5
[M]+ 384.21561 192.4
[M]- 384.21671 192.4
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.