CID 53685

77587-68-9

Structural Information

Molecular Formula
C14H19N4O
SMILES
C1CNC(=[N+](CCO)CC2=CNC3=CC=CC=C32)N1
InChI
InChI=1S/C14H18N4O/c19-8-7-18(14-15-5-6-16-14)10-11-9-17-13-4-2-1-3-12(11)13/h1-4,9,17,19H,5-8,10H2,(H,15,16)/p+1
InChIKey
ITEUXSPZLCLHKF-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-imidazolidin-2-ylidene-(1H-indol-3-ylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15588 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16316 158.7
[M+Na]+ 282.14510 163.8
[M-H]- 258.14860 158.8
[M+NH4]+ 277.18970 172.9
[M+K]+ 298.11904 152.3
[M+H-H2O]+ 242.15314 152.8
[M+HCOO]- 304.15408 174.8
[M+CH3COO]- 318.16973 181.5
[M+Na-2H]- 280.13055 163.6
[M]+ 259.15533 151.5
[M]- 259.15643 151.5
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.