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]+ 359.24416 188.8
[M+Na]+ 381.22610 193.2
[M-H]- 357.22960 191.8
[M+NH4]+ 376.27070 200.3
[M+K]+ 397.20004 188.5
[M+H-H2O]+ 341.23414 179.4
[M+HCOO]- 403.23508 206.2
[M+CH3COO]- 417.25073 222.7
[M+Na-2H]- 379.21155 189.2
[M]+ 358.23633 187.3
[M]- 358.23743 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.