CID 5916940

Nsc686434

Structural Information

Molecular Formula
C15H16N4O2
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N3C(=CN(C3=N2)CCCO)N
InChI
InChI=1S/C15H16N4O2/c16-13-10-18(7-4-8-20)15-17-12(14(21)19(13)15)9-11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8,16H2/b12-9-
InChIKey
KVTGJEQVBVDSGC-XFXZXTDPSA-N
Compound name
(6Z)-3-amino-6-benzylidene-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 166.1
[M+Na]+ 307.11654 175.1
[M-H]- 283.12004 169.0
[M+NH4]+ 302.16114 181.5
[M+K]+ 323.09048 169.4
[M+H-H2O]+ 267.12458 157.7
[M+HCOO]- 329.12552 185.9
[M+CH3COO]- 343.14117 177.0
[M+Na-2H]- 305.10199 166.5
[M]+ 284.12677 165.6
[M]- 284.12787 165.6
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.