CID 9922535

Methionylarginine

Structural Information

Molecular Formula
C11H23N5O3S
SMILES
CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)O)N
InChI
InChI=1S/C11H23N5O3S/c1-20-6-4-7(12)9(17)16-8(10(18)19)3-2-5-15-11(13)14/h7-8H,2-6,12H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15)
InChIKey
UASDAHIAHBRZQV-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

305.15216 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15944 171.5
[M+Na]+ 328.14138 170.7
[M+NH4]+ 323.18598 173.8
[M+K]+ 344.11532 169.2
[M-H]- 304.14488 168.9
[M+Na-2H]- 326.12683 168.6
[M]+ 305.15161 169.9
[M]- 305.15271 169.9
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