CID 449986

Ec 479-540-8

Structural Information

Molecular Formula
C27H30N4O3
SMILES
C1=CC=C(C(=C1)C=NCCN(CCN=CC2=CC=CC=C2O)CCN=CC3=CC=CC=C3O)O
InChI
InChI=1S/C27H30N4O3/c32-25-10-4-1-7-22(25)19-28-13-16-31(17-14-29-20-23-8-2-5-11-26(23)33)18-15-30-21-24-9-3-6-12-27(24)34/h1-12,19-21,32-34H,13-18H2
InChIKey
DZZHTBPFHQTUJO-UHFFFAOYSA-N
Compound name
2-[2-[bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
Patents

458.23178 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.23906 212.2
[M+Na]+ 481.22100 214.1
[M-H]- 457.22450 221.8
[M+NH4]+ 476.26560 219.2
[M+K]+ 497.19494 208.8
[M+H-H2O]+ 441.22904 199.7
[M+HCOO]- 503.22998 238.8
[M+CH3COO]- 517.24563 245.8
[M+Na-2H]- 479.20645 215.1
[M]+ 458.23123 214.3
[M]- 458.23233 214.3
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