CID 2724631

Fmoc-arg-oh

Structural Information

Molecular Formula
C21H24N4O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C21H24N4O4/c22-20(23)24-11-5-10-18(19(26)27)25-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,25,28)(H,26,27)(H4,22,23,24)/t18-/m0/s1
InChIKey
DVBUCBXGDWWXNY-SFHVURJKSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3002
Patents

396.17975 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.18703 193.7
[M+Na]+ 419.16897 198.7
[M+NH4]+ 414.21357 198.0
[M+K]+ 435.14291 196.8
[M-H]- 395.17247 195.1
[M+Na-2H]- 417.15442 194.4
[M]+ 396.17920 193.9
[M]- 396.18030 193.9
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