CID 414751

Nsc63487

Structural Information

Molecular Formula
C22H34N6O2
SMILES
CCN(CC)CCN1C(=NC2=C1C(=O)C3=C(C2=O)N(C(=N3)C)CCN(CC)CC)C
InChI
InChI=1S/C22H34N6O2/c1-7-25(8-2)11-13-27-15(5)23-17-19(27)21(29)18-20(22(17)30)28(16(6)24-18)14-12-26(9-3)10-4/h7-14H2,1-6H3
InChIKey
CDRRQRSBNBNLHB-UHFFFAOYSA-N
Compound name
3,7-bis[2-(diethylamino)ethyl]-2,6-dimethylimidazo[4,5-f]benzimidazole-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.27432 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.28160 207.4
[M+Na]+ 437.26354 216.2
[M-H]- 413.26704 211.2
[M+NH4]+ 432.30814 220.0
[M+K]+ 453.23748 212.4
[M+H-H2O]+ 397.27158 198.0
[M+HCOO]- 459.27252 226.9
[M+CH3COO]- 473.28817 243.1
[M+Na-2H]- 435.24899 204.2
[M]+ 414.27377 218.0
[M]- 414.27487 218.0
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.