CID 354040

Nsc603990

Structural Information

Molecular Formula
C33H31Cl3N6O
SMILES
C1CN(CCC1CN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl)C(=O)NCCCl
InChI
InChI=1S/C33H31Cl3N6O/c34-15-16-37-33(43)41-17-13-22(14-18-41)21-38-28-20-32-30(19-29(28)39-25-9-5-23(35)6-10-25)40-27-3-1-2-4-31(27)42(32)26-11-7-24(36)8-12-26/h1-12,19-20,22,39H,13-18,21H2,(H,37,43)
InChIKey
WXDPCKTYLPPFES-UHFFFAOYSA-N
Compound name
4-[[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]methyl]-N-(2-chloroethyl)piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.1625 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.16978 244.3
[M+Na]+ 655.15172 249.3
[M-H]- 631.15522 250.9
[M+NH4]+ 650.19632 244.2
[M+K]+ 671.12566 239.8
[M+H-H2O]+ 615.15976 228.8
[M+HCOO]- 677.16070 244.3
[M+CH3COO]- 691.17635 246.7
[M+Na-2H]- 653.13717 244.7
[M]+ 632.16195 245.9
[M]- 632.16305 245.9
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.