CID 71587789

Amitose r

Structural Information

Molecular Formula
C9H20N4O4
SMILES
C(C[C@@H](C(=O)O)NCC(CO)O)CN=C(N)N
InChI
InChI=1S/C9H20N4O4/c10-9(11)12-3-1-2-7(8(16)17)13-4-6(15)5-14/h6-7,13-15H,1-5H2,(H,16,17)(H4,10,11,12)/t6?,7-/m0/s1
InChIKey
ZOOPLILURMDKDP-MLWJPKLSSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-(2,3-dihydroxypropylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

248.14845 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15573 157.1
[M+Na]+ 271.13767 158.2
[M-H]- 247.14117 153.0
[M+NH4]+ 266.18227 170.4
[M+K]+ 287.11161 158.0
[M+H-H2O]+ 231.14571 149.7
[M+HCOO]- 293.14665 176.9
[M+CH3COO]- 307.16230 200.7
[M+Na-2H]- 269.12312 155.4
[M]+ 248.14790 151.9
[M]- 248.14900 151.9
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