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

61
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 157.9
[M+Na]+ 271.13767 158.6
[M+NH4]+ 266.18227 160.0
[M+K]+ 287.11161 159.1
[M-H]- 247.14117 154.2
[M+Na-2H]- 269.12312 155.1
[M]+ 248.14790 155.7
[M]- 248.14900 155.7
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