CID 3056819

73840-13-8

Structural Information

Molecular Formula
C27H23N5O
SMILES
CC(=NC1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4
InChI
InChI=1S/C27H23N5O/c1-21(28-22-11-5-2-6-12-22)32(26-15-9-4-10-16-26)27(33)29-23-17-19-25(20-18-23)31-30-24-13-7-3-8-14-24/h2-20H,1H3,(H,29,33)
InChIKey
KQZGTVDZIQNPGN-UHFFFAOYSA-N
Compound name
1-(C-methyl-N-phenylcarbonimidoyl)-1-phenyl-3-(4-phenyldiazenylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.19025 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19753 205.1
[M+Na]+ 456.17947 206.7
[M-H]- 432.18297 221.2
[M+NH4]+ 451.22407 213.7
[M+K]+ 472.15341 203.1
[M+H-H2O]+ 416.18751 191.4
[M+HCOO]- 478.18845 235.6
[M+CH3COO]- 492.20410 247.1
[M+Na-2H]- 454.16492 211.4
[M]+ 433.18970 204.5
[M]- 433.19080 204.5
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.