CID 135470274

Brn 5617747

Structural Information

Molecular Formula
C20H30N4O2
SMILES
CCCC1(C(=NC2=CC=C(C=C2)N(CC)CC)NC(=O)NC1=O)CCC
InChI
InChI=1S/C20H30N4O2/c1-5-13-20(14-6-2)17(22-19(26)23-18(20)25)21-15-9-11-16(12-10-15)24(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3,(H2,21,22,23,25,26)
InChIKey
ICYRPSRABRBGSO-UHFFFAOYSA-N
Compound name
6-[4-(diethylamino)phenyl]imino-5,5-dipropyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.23688 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.244156 188.8
[M+Na]+ 381.226098 193.2
[M-H]- 357.229604 191.8
[M+NH4]+ 376.270703 200.3
[M+K]+ 397.200038 188.5
[M+H-H2O]+ 341.234140 179.4
[M+HCOO]- 403.235081 206.2
[M+CH3COO]- 417.250731 222.7
[M+Na-2H]- 379.211546 189.2
[M]+ 358.23633142 187.3
[M]- 358.23742858 187.3
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.