CID 7019989

Arg-met

Structural Information

Molecular Formula
C11H23N5O3S
SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C11H23N5O3S/c1-20-6-4-8(10(18)19)16-9(17)7(12)3-2-5-15-11(13)14/h7-8H,2-6,12H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1
InChIKey
ROWCTNFEMKOIFQ-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1254
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 171.4
[M+Na]+ 328.14138 171.1
[M-H]- 304.14488 168.7
[M+NH4]+ 323.18598 183.3
[M+K]+ 344.11532 169.8
[M+H-H2O]+ 288.14942 162.6
[M+HCOO]- 350.15036 186.8
[M+CH3COO]- 364.16601 216.8
[M+Na-2H]- 326.12683 166.2
[M]+ 305.15161 167.9
[M]- 305.15271 167.9
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