CID 369192

Nsc640898

Structural Information

Molecular Formula
C22H32I2N2O2
SMILES
CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)N(C(C)C)C(C)C)I)I
InChI
InChI=1S/C22H32I2N2O2/c1-9(2)25(10(3)4)17(27)19-13-15-20(18(28)26(11(5)6)12(7)8)16(21(15,19)23)14(19)22(13,20)24/h9-16H,1-8H3
InChIKey
YXFJDKVAJYJHEH-UHFFFAOYSA-N
Compound name
2,7-diiodo-1-N,1-N,4-N,4-N-tetra(propan-2-yl)cubane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

610.0553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.06258 235.9
[M+Na]+ 633.04452 229.6
[M-H]- 609.04802 235.5
[M+NH4]+ 628.08912 229.1
[M+K]+ 649.01846 236.3
[M+H-H2O]+ 593.05256 223.9
[M+HCOO]- 655.05350 232.2
[M+CH3COO]- 669.06915 272.8
[M+Na-2H]- 631.02997 221.2
[M]+ 610.05475 248.9
[M]- 610.05585 248.9
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

patents stripe