CID 10404463

82409-02-7

Structural Information

Molecular Formula
C16H33N3O4
SMILES
CC(C)(C)OC(=O)NCCCNCCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C16H33N3O4/c1-15(2,3)22-13(20)18-11-7-9-17-10-8-12-19-14(21)23-16(4,5)6/h17H,7-12H2,1-6H3,(H,18,20)(H,19,21)
InChIKey
RXUZRBQIVIUOLJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

331.2471 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.254376 184.3
[M+Na]+ 354.236318 185.8
[M-H]- 330.239824 183.4
[M+NH4]+ 349.280923 197.6
[M+K]+ 370.210258 186.1
[M+H-H2O]+ 314.244360 177.6
[M+HCOO]- 376.245301 204.1
[M+CH3COO]- 390.260951 217.0
[M+Na-2H]- 352.221766 186.6
[M]+ 331.24655142 188.3
[M]- 331.24764858 188.3
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

patents stripe