CID 135435908

Brn 5622889

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CCC1(C(=NCCC2=CNC3=CC=CC=C32)NC(=O)NC1=O)CC
InChI
InChI=1S/C18H22N4O2/c1-3-18(4-2)15(21-17(24)22-16(18)23)19-10-9-12-11-20-14-8-6-5-7-13(12)14/h5-8,11,20H,3-4,9-10H2,1-2H3,(H2,19,21,22,23,24)
InChIKey
QYZQLQVQZSRCCZ-UHFFFAOYSA-N
Compound name
5,5-diethyl-6-[2-(1H-indol-3-yl)ethylimino]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 178.6
[M+Na]+ 349.16352 186.4
[M-H]- 325.16702 179.6
[M+NH4]+ 344.20812 191.9
[M+K]+ 365.13746 178.8
[M+H-H2O]+ 309.17156 169.7
[M+HCOO]- 371.17250 194.3
[M+CH3COO]- 385.18815 206.0
[M+Na-2H]- 347.14897 180.9
[M]+ 326.17375 175.6
[M]- 326.17485 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.