CID 376277

Nsc656991

Structural Information

Molecular Formula
C15H17N5O2
SMILES
C1C(C(=O)NC(=O)N1CCC2=CNC3=CC=CC=C32)C(=N)N
InChI
InChI=1S/C15H17N5O2/c16-13(17)11-8-20(15(22)19-14(11)21)6-5-9-7-18-12-4-2-1-3-10(9)12/h1-4,7,11,18H,5-6,8H2,(H3,16,17)(H,19,21,22)
InChIKey
VVXLBKKVKLHDQU-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-1,3-diazinane-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1382 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14548 168.9
[M+Na]+ 322.12742 175.7
[M-H]- 298.13092 169.8
[M+NH4]+ 317.17202 180.5
[M+K]+ 338.10136 168.9
[M+H-H2O]+ 282.13546 160.1
[M+HCOO]- 344.13640 185.1
[M+CH3COO]- 358.15205 177.7
[M+Na-2H]- 320.11287 170.3
[M]+ 299.13765 162.5
[M]- 299.13875 162.5
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.