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]+ 327.181576 178.6
[M+Na]+ 349.163518 186.4
[M-H]- 325.167024 179.6
[M+NH4]+ 344.208123 191.9
[M+K]+ 365.137458 178.8
[M+H-H2O]+ 309.171560 169.7
[M+HCOO]- 371.172501 194.3
[M+CH3COO]- 385.188151 206.0
[M+Na-2H]- 347.148966 180.9
[M]+ 326.17375142 175.6
[M]- 326.17484858 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.