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]+ 385.223436 194.3
[M+Na]+ 407.205378 194.5
[M-H]- 383.208884 196.6
[M+NH4]+ 402.249983 204.6
[M+K]+ 423.179318 192.3
[M+H-H2O]+ 367.213420 185.3
[M+HCOO]- 429.214361 214.2
[M+CH3COO]- 443.230011 232.4
[M+Na-2H]- 405.190826 193.5
[M]+ 384.21561142 192.4
[M]- 384.21670858 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.