CID 350063

Nsc656106

Structural Information

Molecular Formula
C18H21N3O2
SMILES
C1=CC=C(C(=C1)C=NCCNCCN=CC2=CC=CC=C2O)O
InChI
InChI=1S/C18H21N3O2/c22-17-7-3-1-5-15(17)13-20-11-9-19-10-12-21-14-16-6-2-4-8-18(16)23/h1-8,13-14,19,22-23H,9-12H2
InChIKey
VZZSYVPQKDTFBM-UHFFFAOYSA-N
Compound name
2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

311.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 172.5
[M+Na]+ 334.15262 177.2
[M-H]- 310.15612 178.7
[M+NH4]+ 329.19722 186.1
[M+K]+ 350.12656 172.3
[M+H-H2O]+ 294.16066 163.2
[M+HCOO]- 356.16160 199.4
[M+CH3COO]- 370.17725 212.7
[M+Na-2H]- 332.13807 178.3
[M]+ 311.16285 172.9
[M]- 311.16395 172.9
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

patents stripe