CID 497893

Nh2-phe-arg-nh2

Structural Information

Molecular Formula
C15H24N6O2
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N
InChI
InChI=1S/C15H24N6O2/c16-11(9-10-5-2-1-3-6-10)14(23)21-12(13(17)22)7-4-8-20-15(18)19/h1-3,5-6,11-12H,4,7-9,16H2,(H2,17,22)(H,21,23)(H4,18,19,20)/t11-,12-/m0/s1
InChIKey
VOBXZSLZHMCNTC-RYUDHWBXSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

320.19608 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20336 176.9
[M+Na]+ 343.18530 176.6
[M-H]- 319.18880 178.8
[M+NH4]+ 338.22990 187.9
[M+K]+ 359.15924 175.9
[M+H-H2O]+ 303.19334 167.3
[M+HCOO]- 365.19428 200.4
[M+CH3COO]- 379.20993 225.9
[M+Na-2H]- 341.17075 174.3
[M]+ 320.19553 169.7
[M]- 320.19663 169.7
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.