CID 131704251

Benzyl n-[(2s)-5-(diaminomethylamino)-1-[[(2s)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate

Structural Information

Molecular Formula
C18H28FN5O4
SMILES
C[C@@H](C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C18H28FN5O4/c1-12(15(25)10-19)23-16(26)14(8-5-9-22-17(20)21)24-18(27)28-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,17,22H,5,8-11,20-21H2,1H3,(H,23,26)(H,24,27)/t12-,14-/m0/s1
InChIKey
FAAPWXRBXXSQNJ-JSGCOSHPSA-N
Compound name
benzyl N-[(2S)-5-(diaminomethylamino)-1-[[(2S)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.21252 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.21980 195.0
[M+Na]+ 420.20174 193.2
[M-H]- 396.20524 194.6
[M+NH4]+ 415.24634 202.8
[M+K]+ 436.17568 193.1
[M+H-H2O]+ 380.20978 184.3
[M+HCOO]- 442.21072 214.7
[M+CH3COO]- 456.22637 235.4
[M+Na-2H]- 418.18719 190.6
[M]+ 397.21197 190.6
[M]- 397.21307 190.6
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

No patent data available for this compound.