CID 3068458

Brn 5663763

Structural Information

Molecular Formula
C17H29ClN6O5
SMILES
CC(C)C[C@@H](C(=O)NC(=O)CNCCCl)NC(=O)[C@@H]1CCCN1C(=O)N(C)N=O
InChI
InChI=1S/C17H29ClN6O5/c1-11(2)9-12(15(26)21-14(25)10-19-7-6-18)20-16(27)13-5-4-8-24(13)17(28)23(3)22-29/h11-13,19H,4-10H2,1-3H3,(H,20,27)(H,21,25,26)/t12-,13-/m0/s1
InChIKey
LBUISMOCPXPDEA-STQMWFEESA-N
Compound name
(2S)-2-N-[(2S)-1-[[2-(2-chloroethylamino)acetyl]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

432.18878 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.19606 198.2
[M+Na]+ 455.17800 197.6
[M+NH4]+ 450.22260 198.9
[M+K]+ 471.15194 199.7
[M-H]- 431.18150 195.9
[M+Na-2H]- 453.16345 195.7
[M]+ 432.18823 196.4
[M]- 432.18933 196.4
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.