CID 86577707

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

Structural Information

Molecular Formula
C27H55N7O4
SMILES
CCCCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C27H55N7O4/c1-2-3-4-5-6-7-8-9-10-17-24(35)32-22(15-12-19-29)26(37)34-23(16-13-20-30)27(38)33-21(25(31)36)14-11-18-28/h21-23H,2-20,28-30H2,1H3,(H2,31,36)(H,32,35)(H,33,38)(H,34,37)
InChIKey
BKXVAAWETDBTTC-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[[5-amino-1-[(1,5-diamino-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

541.4316 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.43888 232.3
[M+Na]+ 564.42082 248.5
[M-H]- 540.42432 241.4
[M+NH4]+ 559.46542 232.0
[M+K]+ 580.39476 240.5
[M+H-H2O]+ 524.42886 228.0
[M+HCOO]- 586.42980 215.0
[M+CH3COO]- 600.44545 272.4
[M+Na-2H]- 562.40627 222.2
[M]+ 541.43105 213.0
[M]- 541.43215 213.0
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.