CID 6481342

Schembl7896940

Structural Information

Molecular Formula
C27H24N4
SMILES
C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C(C4=CC=CC=C4)N)N
InChI
InChI=1S/C27H24N4/c28-26(22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(29)23-9-5-2-6-10-23/h1-18H,19H2,(H2,28,30)(H2,29,31)
InChIKey
DDCFTYSGVYTCKI-UHFFFAOYSA-N
Compound name
N'-[4-[[4-[[amino(phenyl)methylidene]amino]phenyl]methyl]phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

404.2001 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20738 199.4
[M+Na]+ 427.18932 202.2
[M-H]- 403.19282 212.3
[M+NH4]+ 422.23392 208.1
[M+K]+ 443.16326 195.3
[M+H-H2O]+ 387.19736 187.1
[M+HCOO]- 449.19830 225.6
[M+CH3COO]- 463.21395 207.7
[M+Na-2H]- 425.17477 202.7
[M]+ 404.19955 194.6
[M]- 404.20065 194.6
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

patents stripe