CID 4381663

Gly-leu-met-nh2(1+)

Structural Information

Molecular Formula
C13H26N4O3S
SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CN
InChI
InChI=1S/C13H26N4O3S/c1-8(2)6-10(16-11(18)7-14)13(20)17-9(12(15)19)4-5-21-3/h8-10H,4-7,14H2,1-3H3,(H2,15,19)(H,16,18)(H,17,20)
InChIKey
RLXSTJVYBMNHEP-UHFFFAOYSA-N
Compound name
2-[(2-aminoacetyl)amino]-N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.17258 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17986 179.2
[M+Na]+ 341.16180 178.7
[M-H]- 317.16530 176.8
[M+NH4]+ 336.20640 191.2
[M+K]+ 357.13574 177.7
[M+H-H2O]+ 301.16984 170.8
[M+HCOO]- 363.17078 192.6
[M+CH3COO]- 377.18643 218.6
[M+Na-2H]- 339.14725 172.3
[M]+ 318.17203 177.6
[M]- 318.17313 177.6
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

patents stripe