CID 439968

N(2)-succinyl-l-arginine

Structural Information

Molecular Formula
C10H18N4O5
SMILES
C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN=C(N)N
InChI
InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1
InChIKey
UMOXFSXIFQOWTD-LURJTMIESA-N
Compound name
(2S)-2-(3-carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5184
References

167
Patents

274.12772 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13500 162.3
[M+Na]+ 297.11694 163.6
[M-H]- 273.12044 159.5
[M+NH4]+ 292.16154 175.0
[M+K]+ 313.09088 164.1
[M+H-H2O]+ 257.12498 154.6
[M+HCOO]- 319.12592 182.9
[M+CH3COO]- 333.14157 206.8
[M+Na-2H]- 295.10239 159.5
[M]+ 274.12717 158.6
[M]- 274.12827 158.6
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