CID 9209277

L-prolyl-n-2-naphthalenyl-l-argininamide

Structural Information

Molecular Formula
C21H28N6O2
SMILES
C1C[C@H](NC1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C21H28N6O2/c22-21(23)25-12-4-8-18(27-19(28)17-7-3-11-24-17)20(29)26-16-10-9-14-5-1-2-6-15(14)13-16/h1-2,5-6,9-10,13,17-18,24H,3-4,7-8,11-12H2,(H,26,29)(H,27,28)(H4,22,23,25)/t17-,18-/m0/s1
InChIKey
FSLNYWCUNWASID-ROUUACIJSA-N
Compound name
(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2274 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.23468 189.5
[M+Na]+ 419.21662 188.2
[M-H]- 395.22012 193.2
[M+NH4]+ 414.26122 198.8
[M+K]+ 435.19056 184.8
[M+H-H2O]+ 379.22466 179.6
[M+HCOO]- 441.22560 208.9
[M+CH3COO]- 455.24125 233.5
[M+Na-2H]- 417.20207 189.2
[M]+ 396.22685 181.6
[M]- 396.22795 181.6
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.