CID 371362

Nsc645582

Structural Information

Molecular Formula
C18H24N4O3
SMILES
CC(=O)NC(CCCNC(=O)NCC#C)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C18H24N4O3/c1-3-11-19-18(25)20-12-7-10-16(22-14(2)23)17(24)21-13-15-8-5-4-6-9-15/h1,4-6,8-9,16H,7,10-13H2,2H3,(H,21,24)(H,22,23)(H2,19,20,25)
InChIKey
HCESTUWCONLCON-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-5-(prop-2-ynylcarbamoylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.18484 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19212 190.3
[M+Na]+ 367.17406 192.7
[M-H]- 343.17756 190.4
[M+NH4]+ 362.21866 199.7
[M+K]+ 383.14800 189.8
[M+H-H2O]+ 327.18210 175.3
[M+HCOO]- 389.18304 206.8
[M+CH3COO]- 403.19869 225.5
[M+Na-2H]- 365.15951 188.5
[M]+ 344.18429 183.1
[M]- 344.18539 183.1
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.