CID 137242179

(5e)-2-imino-5-(1h-indol-3-ylmethylene)-1,3-dimethyl-imidazolidin-4-one

Structural Information

Molecular Formula
C14H14N4O
SMILES
CN1C(=C(N(C1=N)C)O)/C=C\2/C=NC3=CC=CC=C32
InChI
InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15,19H,1-2H3/b9-7-,15-14?
InChIKey
CYKDGQFRORUDQP-HDGYDDKCSA-N
Compound name
2-imino-5-[(E)-indol-3-ylidenemethyl]-1,3-dimethylimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12404 158.4
[M+Na]+ 277.10598 170.1
[M-H]- 253.10948 162.7
[M+NH4]+ 272.15058 175.9
[M+K]+ 293.07992 164.0
[M+H-H2O]+ 237.11402 150.7
[M+HCOO]- 299.11496 180.4
[M+CH3COO]- 313.13061 171.0
[M+Na-2H]- 275.09143 160.3
[M]+ 254.11621 159.0
[M]- 254.11731 159.0
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.