CID 5489007

Norophthalamic acid

Structural Information

Molecular Formula
C10H17N3O6
SMILES
C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
RPVCUZZJCXVVDW-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

133
Patents

275.11172 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11900 162.3
[M+Na]+ 298.10094 162.9
[M+NH4]+ 293.14554 163.0
[M+K]+ 314.07488 165.0
[M-H]- 274.10444 156.5
[M+Na-2H]- 296.08639 158.3
[M]+ 275.11117 159.4
[M]- 275.11227 159.4
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