CID 460426

Mcs-669

Structural Information

Molecular Formula
C17H25N5O4
SMILES
CC(=O)N[C@@H](CCCCNC(=O)N(C)N=O)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C17H25N5O4/c1-13(23)20-15(10-6-7-11-18-17(25)22(2)21-26)16(24)19-12-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,18,25)(H,19,24)(H,20,23)/t15-/m0/s1
InChIKey
DLXWYGPTFWVDPU-HNNXBMFYSA-N
Compound name
(2S)-2-acetamido-N-benzyl-6-[[methyl(nitroso)carbamoyl]amino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.19064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19792 187.7
[M+Na]+ 386.17986 187.7
[M-H]- 362.18336 192.7
[M+NH4]+ 381.22446 199.0
[M+K]+ 402.15380 188.9
[M+H-H2O]+ 346.18790 177.6
[M+HCOO]- 408.18884 214.2
[M+CH3COO]- 422.20449 232.6
[M+Na-2H]- 384.16531 188.5
[M]+ 363.19009 189.7
[M]- 363.19119 189.7
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.