CID 118909

36116-28-6

Structural Information

Molecular Formula
C21H27ClN5
SMILES
CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)[N+](C)(C)C)Cl)C
InChI
InChI=1S/C21H27ClN5/c1-6-26(13-7-12-23)17-8-11-20(16(2)14-17)24-25-21-15-18(27(3,4)5)9-10-19(21)22/h8-11,14-15H,6-7,13H2,1-5H3/q+1
InChIKey
YFQIYJAXJYYOAA-UHFFFAOYSA-N
Compound name
[4-chloro-3-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]diazenyl]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1955 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20278 202.7
[M+Na]+ 407.18472 210.7
[M-H]- 383.18822 211.8
[M+NH4]+ 402.22932 215.0
[M+K]+ 423.15866 200.9
[M+H-H2O]+ 367.19276 189.4
[M+HCOO]- 429.19370 222.4
[M+CH3COO]- 443.20935 241.5
[M+Na-2H]- 405.17017 206.5
[M]+ 384.19495 202.5
[M]- 384.19605 202.5
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.