CID 155710

72208-25-4

Structural Information

Molecular Formula
C20H23ClN5O
SMILES
C[N+](C)(C)CC(=O)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)NCCC#N)Cl
InChI
InChI=1S/C20H22ClN5O/c1-26(2,3)14-20(27)15-5-7-16(8-6-15)24-25-17-9-10-19(18(21)13-17)23-12-4-11-22/h5-10,13H,4,12,14H2,1-3H3/p+1
InChIKey
ZJVVMVAXMNDKDF-UHFFFAOYSA-O
Compound name
[2-[4-[[3-chloro-4-(2-cyanoethylamino)phenyl]diazenyl]phenyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.15912 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16640 201.6
[M+Na]+ 407.14834 208.9
[M-H]- 383.15184 209.4
[M+NH4]+ 402.19294 212.8
[M+K]+ 423.12228 198.5
[M+H-H2O]+ 367.15638 188.5
[M+HCOO]- 429.15732 220.6
[M+CH3COO]- 443.17297 236.5
[M+Na-2H]- 405.13379 206.2
[M]+ 384.15857 199.6
[M]- 384.15967 199.6
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.