CID 3068454

Brn 5648519

Structural Information

Molecular Formula
C15H26N6O5
SMILES
CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)N(C)N=O
InChI
InChI=1S/C15H26N6O5/c1-9(2)7-10(13(23)17-8-12(16)22)18-14(24)11-5-4-6-21(11)15(25)20(3)19-26/h9-11H,4-8H2,1-3H3,(H2,16,22)(H,17,23)(H,18,24)/t10-,11-/m0/s1
InChIKey
CMJWMPSOZPLLDT-QWRGUYRKSA-N
Compound name
(2S)-2-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-N-methyl-1-N-nitrosopyrrolidine-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.19647 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20375 185.1
[M+Na]+ 393.18569 183.8
[M+NH4]+ 388.23029 185.7
[M+K]+ 409.15963 187.4
[M-H]- 369.18919 182.7
[M+Na-2H]- 391.17114 182.4
[M]+ 370.19592 182.8
[M]- 370.19702 182.8
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.