CID 18606289

N2-formyl-l-arginine

Structural Information

Molecular Formula
C7H14N4O3
SMILES
C(C[C@@H](C(=O)O)NC=O)CN=C(N)N
InChI
InChI=1S/C7H14N4O3/c8-7(9)10-3-1-2-5(6(13)14)11-4-12/h4-5H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t5-/m0/s1
InChIKey
MBDCBOQSTZRKJP-YFKPBYRVSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-formamidopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

202.1066 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.113876 144.2
[M+Na]+ 225.095818 147.5
[M-H]- 201.099324 143.2
[M+NH4]+ 220.140423 160.8
[M+K]+ 241.069758 147.6
[M+H-H2O]+ 185.103860 137.1
[M+HCOO]- 247.104801 168.6
[M+CH3COO]- 261.120451 194.9
[M+Na-2H]- 223.081266 145.6
[M]+ 202.10605142 140.5
[M]- 202.10714858 140.5
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