CID 161330

Sn 6058

Structural Information

Molecular Formula
C32H28N6O2
SMILES
CN1C=CC=CC1=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=CC=CN5C
InChI
InChI=1S/C32H28N6O2/c1-37-21-5-3-7-29(37)33-25-13-17-27(18-14-25)35-31(39)23-9-11-24(12-10-23)32(40)36-28-19-15-26(16-20-28)34-30-8-4-6-22-38(30)2/h3-22H,1-2H3,(H,35,39)(H,36,40)
InChIKey
WVUBWISQJHOKQB-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(1-methylpyridin-2-ylidene)amino]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.22736 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.23464 230.5
[M+Na]+ 551.21658 234.6
[M-H]- 527.22008 245.1
[M+NH4]+ 546.26118 231.6
[M+K]+ 567.19052 227.1
[M+H-H2O]+ 511.22462 214.5
[M+HCOO]- 573.22556 254.6
[M+CH3COO]- 587.24121 236.7
[M+Na-2H]- 549.20203 234.3
[M]+ 528.22681 229.4
[M]- 528.22791 229.4
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.