CID 473697

(3z)-n,5-bis(4-chlorophenyl)-3-decylimino-phenazin-2-amine

Structural Information

Molecular Formula
C34H36Cl2N4
SMILES
CCCCCCCCCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C34H36Cl2N4/c1-2-3-4-5-6-7-8-11-22-37-30-24-34-32(23-31(30)38-27-18-14-25(35)15-19-27)39-29-12-9-10-13-33(29)40(34)28-20-16-26(36)17-21-28/h9-10,12-21,23-24,38H,2-8,11,22H2,1H3
InChIKey
GBRAQSLPNAKBFK-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-decyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.2317 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.23898 244.7
[M+Na]+ 593.22092 251.3
[M-H]- 569.22442 251.3
[M+NH4]+ 588.26552 248.9
[M+K]+ 609.19486 239.5
[M+H-H2O]+ 553.22896 229.9
[M+HCOO]- 615.22990 253.2
[M+CH3COO]- 629.24555 249.2
[M+Na-2H]- 591.20637 245.8
[M]+ 570.23115 251.4
[M]- 570.23225 251.4
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.