CID 102309789

Unii-a53122s09o

Structural Information

Molecular Formula
C20H40N4O3
SMILES
CCCCCCCCCCCC(=O)NC(=NCCC[C@@H](C(=O)OCC)N)N
InChI
InChI=1S/C20H40N4O3/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-20(22)23-16-13-14-17(21)19(26)27-4-2/h17H,3-16,21H2,1-2H3,(H3,22,23,24,25)/t17-/m0/s1
InChIKey
HINCDLNENLONLU-KRWDZBQOSA-N
Compound name
ethyl (2S)-2-amino-5-[[amino-(dodecanoylamino)methylidene]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

384.31003 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.31731 203.3
[M+Na]+ 407.29925 201.6
[M-H]- 383.30275 201.5
[M+NH4]+ 402.34385 219.7
[M+K]+ 423.27319 200.3
[M+H-H2O]+ 367.30729 194.0
[M+HCOO]- 429.30823 218.4
[M+CH3COO]- 443.32388 234.8
[M+Na-2H]- 405.28470 197.6
[M]+ 384.30948 205.5
[M]- 384.31058 205.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.