CID 18223958

Sir

Structural Information

Molecular Formula
C15H30N6O5
SMILES
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CO)N
InChI
InChI=1S/C15H30N6O5/c1-3-8(2)11(21-12(23)9(16)7-22)13(24)20-10(14(25)26)5-4-6-19-15(17)18/h8-11,22H,3-7,16H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)(H4,17,18,19)
InChIKey
YIUWWXVTYLANCJ-UHFFFAOYSA-N
Compound name
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.22778 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.23506 191.6
[M+Na]+ 397.21700 188.7
[M-H]- 373.22050 205.0
[M+NH4]+ 392.26160 193.9
[M+K]+ 413.19094 191.1
[M+H-H2O]+ 357.22504 182.5
[M+HCOO]- 419.22598 178.0
[M+CH3COO]- 433.24163 235.0
[M+Na-2H]- 395.20245 182.7
[M]+ 374.22723 175.3
[M]- 374.22833 175.3
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.