CID 117590

25652-07-7

Structural Information

Molecular Formula
C15H28N4O4
SMILES
CCCC(C)(COC(=O)NN=C(C)C)COC(=O)NN=C(C)C
InChI
InChI=1S/C15H28N4O4/c1-7-8-15(6,9-22-13(20)18-16-11(2)3)10-23-14(21)19-17-12(4)5/h7-10H2,1-6H3,(H,18,20)(H,19,21)
InChIKey
WLSWIPXQPOWVGX-UHFFFAOYSA-N
Compound name
[2-methyl-2-[(propan-2-ylideneamino)carbamoyloxymethyl]pentyl] N-(propan-2-ylideneamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.21106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.21834 181.6
[M+Na]+ 351.20028 183.2
[M-H]- 327.20378 183.6
[M+NH4]+ 346.24488 211.9
[M+K]+ 367.17422 184.9
[M+H-H2O]+ 311.20832 173.8
[M+HCOO]- 373.20926 205.7
[M+CH3COO]- 387.22491 223.7
[M+Na-2H]- 349.18573 182.2
[M]+ 328.21051 186.0
[M]- 328.21161 186.0
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.