CID 135568420

Brn 4776474

Structural Information

Molecular Formula
C39H29N7O3
SMILES
CC1=CC=CC=C1N=N/C(=N/NC(=O)C2=CC=C(C=C2)N3C(=N/C(=C/C4=CNC5=CC=CC=C54)/C3=O)C6=CC=CC=C6)/C7=CC=CC=C7O
InChI
InChI=1S/C39H29N7O3/c1-25-11-5-8-16-32(25)42-43-36(31-15-7-10-18-35(31)47)44-45-38(48)27-19-21-29(22-20-27)46-37(26-12-3-2-4-13-26)41-34(39(46)49)23-28-24-40-33-17-9-6-14-30(28)33/h2-24,40,47H,1H3,(H,45,48)/b34-23+,43-42?,44-36+
InChIKey
AYJSGPOYXHJYTD-XZKUPBOASA-N
Compound name
N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]amino]-4-[(4E)-4-(1H-indol-3-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

643.2332 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.24048 245.8
[M+Na]+ 666.22242 249.0
[M-H]- 642.22592 263.2
[M+NH4]+ 661.26702 244.5
[M+K]+ 682.19636 241.1
[M+H-H2O]+ 626.23046 231.1
[M+HCOO]- 688.23140 267.2
[M+CH3COO]- 702.24705 250.6
[M+Na-2H]- 664.20787 245.3
[M]+ 643.23265 245.4
[M]- 643.23375 245.4
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.