CID 53695

77587-88-3

Structural Information

Molecular Formula
C19H22N5O
SMILES
C1CNC(=[N+](CCO)CC2=C(NC3=CC=CC=C32)C4=CC=CC=N4)N1
InChI
InChI=1S/C19H21N5O/c25-12-11-24(19-21-9-10-22-19)13-15-14-5-1-2-6-16(14)23-18(15)17-7-3-4-8-20-17/h1-8,25H,9-13H2,(H2,20,21,22,23)/p+1
InChIKey
YTFIZPUPFNXNGR-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-imidazolidin-2-ylidene-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.18971 177.7
[M+Na]+ 359.17165 182.5
[M-H]- 335.17515 180.0
[M+NH4]+ 354.21625 187.2
[M+K]+ 375.14559 169.2
[M+H-H2O]+ 319.17969 170.0
[M+HCOO]- 381.18063 192.1
[M+CH3COO]- 395.19628 196.7
[M+Na-2H]- 357.15710 181.6
[M]+ 336.18188 170.8
[M]- 336.18298 170.8
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.