CID 44272089

442158-31-8

Structural Information

Molecular Formula
C14H20N6O4
SMILES
COC1=CC=C(C=C1)N=NC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C14H20N6O4/c1-24-10-6-4-9(5-7-10)19-20-14(23)18-11(12(21)22)3-2-8-17-13(15)16/h4-7,11H,2-3,8H2,1H3,(H,18,23)(H,21,22)(H4,15,16,17)/t11-/m0/s1
InChIKey
BVQRRDSDWHYCHI-NSHDSACASA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-[(4-methoxyphenyl)iminocarbamoylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

336.1546 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16188 178.5
[M+Na]+ 359.14382 181.2
[M+NH4]+ 354.18842 180.9
[M+K]+ 375.11776 179.7
[M-H]- 335.14732 179.6
[M+Na-2H]- 357.12927 180.1
[M]+ 336.15405 178.0
[M]- 336.15515 178.0
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