CID 381182

Nsc667513

Structural Information

Molecular Formula
C37H30N3O2P
SMILES
CCOC(=O)C1=C(C(=NN=C1N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C37H30N3O2P/c1-2-42-37(41)34-33(28-18-8-3-9-19-28)35(29-20-10-4-11-21-29)38-39-36(34)40-43(30-22-12-5-13-23-30,31-24-14-6-15-25-31)32-26-16-7-17-27-32/h3-27H,2H2,1H3
InChIKey
NTSPCRVUULMDBC-UHFFFAOYSA-N
Compound name
ethyl 5,6-diphenyl-3-[(triphenyl-lambda5-phosphanylidene)amino]pyridazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.2076 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.21488 244.9
[M+Na]+ 602.19682 246.2
[M-H]- 578.20032 257.7
[M+NH4]+ 597.24142 242.7
[M+K]+ 618.17076 238.1
[M+H-H2O]+ 562.20486 224.7
[M+HCOO]- 624.20580 266.0
[M+CH3COO]- 638.22145 248.5
[M+Na-2H]- 600.18227 243.6
[M]+ 579.20705 241.7
[M]- 579.20815 241.7
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.