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

literature stripe

Patent stripe

patents stripe