CID 460424

Mcs-663

Structural Information

Molecular Formula
C16H23N5O4
SMILES
CC(=O)N[C@@H](CCCNC(=O)N(C)N=O)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C16H23N5O4/c1-12(22)19-14(9-6-10-17-16(24)21(2)20-25)15(23)18-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,17,24)(H,18,23)(H,19,22)/t14-/m0/s1
InChIKey
HPNPWVFCBNWWPD-AWEZNQCLSA-N
Compound name
(2S)-2-acetamido-N-benzyl-5-[[methyl(nitroso)carbamoyl]amino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.17502 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18230 183.3
[M+Na]+ 372.16424 183.8
[M-H]- 348.16774 188.4
[M+NH4]+ 367.20884 195.1
[M+K]+ 388.13818 185.1
[M+H-H2O]+ 332.17228 173.3
[M+HCOO]- 394.17322 210.1
[M+CH3COO]- 408.18887 229.7
[M+Na-2H]- 370.14969 184.6
[M]+ 349.17447 184.9
[M]- 349.17557 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.