CID 3064927

Brn 5668152

Structural Information

Molecular Formula
C18H31N5O8
SMILES
CC(C)(C)N(CN1C(N1C)(C(=O)OC)C(=O)OC)CN2C(N2C)(C(=O)OC)C(=O)OC
InChI
InChI=1S/C18H31N5O8/c1-16(2,3)21(10-22-17(19(22)4,12(24)28-6)13(25)29-7)11-23-18(20(23)5,14(26)30-8)15(27)31-9/h10-11H2,1-9H3
InChIKey
BXEPRSZQKAPADH-UHFFFAOYSA-N
Compound name
dimethyl 1-[[[3,3-bis(methoxycarbonyl)-2-methyldiaziridin-1-yl]methyl-tert-butylamino]methyl]-2-methyldiaziridine-3,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.21725 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.22453 221.3
[M+Na]+ 468.20647 227.6
[M-H]- 444.20997 224.7
[M+NH4]+ 463.25107 220.5
[M+K]+ 484.18041 226.8
[M+H-H2O]+ 428.21451 218.4
[M+HCOO]- 490.21545 231.5
[M+CH3COO]- 504.23110 239.5
[M+Na-2H]- 466.19192 218.0
[M]+ 445.21670 236.5
[M]- 445.21780 236.5
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.