CID 11971386

1,4-bis(2-(diethylamino)ethyl)-6,6-diethyl-2,3-dihydro-1h-1,4-diazepine-5,7(4h,6h)-dione

Structural Information

Molecular Formula
C21H42N4O2
SMILES
CCC1(C(=O)N(CCN(C1=O)CCN(CC)CC)CCN(CC)CC)CC
InChI
InChI=1S/C21H42N4O2/c1-7-21(8-2)19(26)24(15-13-22(9-3)10-4)17-18-25(20(21)27)16-14-23(11-5)12-6/h7-18H2,1-6H3
InChIKey
YCDOKNLANWDWRP-UHFFFAOYSA-N
Compound name
1,4-bis[2-(diethylamino)ethyl]-6,6-diethyl-1,4-diazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.33078 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.33806 191.1
[M+Na]+ 405.32000 192.7
[M-H]- 381.32350 194.3
[M+NH4]+ 400.36460 202.7
[M+K]+ 421.29394 196.2
[M+H-H2O]+ 365.32804 181.4
[M+HCOO]- 427.32898 208.0
[M+CH3COO]- 441.34463 235.5
[M+Na-2H]- 403.30545 188.6
[M]+ 382.33023 193.1
[M]- 382.33133 193.1
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.