CID 3068456

Brn 5636856

Structural Information

Molecular Formula
C15H26ClN5O4
SMILES
CC(C)C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=O)N(C)N=O)NCCCl
InChI
InChI=1S/C15H26ClN5O4/c1-10(2)9-11(17-7-6-16)13(22)18-14(23)12-5-4-8-21(12)15(24)20(3)19-25/h10-12,17H,4-9H2,1-3H3,(H,18,22,23)/t11-,12-/m0/s1
InChIKey
NQPTYKRYXAPGSG-RYUDHWBXSA-N
Compound name
(2S)-2-N-[(2S)-2-(2-chloroethylamino)-4-methylpentanoyl]-1-N-methyl-1-N-nitrosopyrrolidine-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.16733 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17461 190.8
[M+Na]+ 398.15655 191.9
[M-H]- 374.16005 194.8
[M+NH4]+ 393.20115 203.6
[M+K]+ 414.13049 192.2
[M+H-H2O]+ 358.16459 182.8
[M+HCOO]- 420.16553 208.3
[M+CH3COO]- 434.18118 230.3
[M+Na-2H]- 396.14200 186.6
[M]+ 375.16678 193.3
[M]- 375.16788 193.3
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.