CID 473718

(3z)-n-(4-chlorophenyl)-3-(4-chlorophenyl)imino-5-(2-diethylaminoethyl)phenazin-2-amine

Structural Information

Molecular Formula
C30H29Cl2N5
SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C3C1=CC(=NC4=CC=C(C=C4)Cl)C(=C3)NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C30H29Cl2N5/c1-3-36(4-2)17-18-37-29-8-6-5-7-25(29)35-28-19-26(33-23-13-9-21(31)10-14-23)27(20-30(28)37)34-24-15-11-22(32)12-16-24/h5-16,19-20,33H,3-4,17-18H2,1-2H3
InChIKey
NQSYONXFHCDYAC-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-(4-chlorophenyl)imino-5-[2-(diethylamino)ethyl]phenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.18 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.18728 230.8
[M+Na]+ 552.16922 238.6
[M-H]- 528.17272 239.7
[M+NH4]+ 547.21382 237.1
[M+K]+ 568.14316 229.0
[M+H-H2O]+ 512.17726 216.9
[M+HCOO]- 574.17820 242.4
[M+CH3COO]- 588.19385 237.2
[M+Na-2H]- 550.15467 234.3
[M]+ 529.17945 237.4
[M]- 529.18055 237.4
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.