CID 135452472

Einecs 264-072-7

Structural Information

Molecular Formula
C15H10N4O
SMILES
C1=CC2=C(NC(=C2C=C1)O)N=C3N=C4C=CC=CC4=N3
InChI
InChI=1S/C15H10N4O/c20-14-10-6-2-1-5-9(10)13(18-14)19-15-16-11-7-3-4-8-12(11)17-15/h1-8,18,20H
InChIKey
RCQLCKGWGZYBOL-UHFFFAOYSA-N
Compound name
3-(benzimidazol-2-ylideneamino)-2H-isoindol-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

262.08545 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09273 155.1
[M+Na]+ 285.07467 167.6
[M-H]- 261.07817 160.6
[M+NH4]+ 280.11927 172.7
[M+K]+ 301.04861 160.9
[M+H-H2O]+ 245.08271 146.8
[M+HCOO]- 307.08365 179.2
[M+CH3COO]- 321.09930 168.3
[M+Na-2H]- 283.06012 162.8
[M]+ 262.08490 157.7
[M]- 262.08600 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.