CID 86577827

N-[4-amino-1-[[4-amino-1-[[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]dodecanamide

Structural Information

Molecular Formula
C37H75N11O6
SMILES
CCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C37H75N11O6/c1-2-3-4-5-6-7-8-9-10-21-32(49)44-28(17-12-23-39)34(51)46-30(19-14-25-41)36(53)48-31(20-15-26-42)37(54)47-29(18-13-24-40)35(52)45-27(33(43)50)16-11-22-38/h27-31H,2-26,38-42H2,1H3,(H2,43,50)(H,44,49)(H,45,52)(H,46,51)(H,47,54)(H,48,53)
InChIKey
ULWSPKDHFXYAJO-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

769.59015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 770.59743 273.5
[M+Na]+ 792.57937 270.0
[M-H]- 768.58287 273.1
[M+NH4]+ 787.62397 274.6
[M+K]+ 808.55331 272.3
[M+H-H2O]+ 752.58741 253.7
[M+HCOO]- 814.58835 274.8
[M+CH3COO]- 828.60400 321.1
[M+Na-2H]- 790.56482 315.6
[M]+ 769.58960 306.8
[M]- 769.59070 306.8
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.