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

0
Patents

384.31003 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.317306 203.3
[M+Na]+ 407.299248 201.6
[M-H]- 383.302754 201.5
[M+NH4]+ 402.343853 219.7
[M+K]+ 423.273188 200.3
[M+H-H2O]+ 367.307290 194.0
[M+HCOO]- 429.308231 218.4
[M+CH3COO]- 443.323881 234.8
[M+Na-2H]- 405.284696 197.6
[M]+ 384.30948142 205.5
[M]- 384.31057858 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.