CID 207017

Acridine, 9-(2,2-bis(2-chloroethyl)hydrazino)-, monohydrochloride

Structural Information

Molecular Formula
C17H17Cl2N3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NN(CCCl)CCCl
InChI
InChI=1S/C17H17Cl2N3/c18-9-11-22(12-10-19)21-17-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)17/h1-8H,9-12H2,(H,20,21)
InChIKey
HICGIVDTOPERKB-UHFFFAOYSA-N
Compound name
2-acridin-9-yl-1,1-bis(2-chloroethyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.07996 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08724 172.9
[M+Na]+ 356.06918 182.0
[M-H]- 332.07268 176.9
[M+NH4]+ 351.11378 188.9
[M+K]+ 372.04312 174.8
[M+H-H2O]+ 316.07722 165.1
[M+HCOO]- 378.07816 187.2
[M+CH3COO]- 392.09381 183.7
[M+Na-2H]- 354.05463 181.5
[M]+ 333.07941 179.2
[M]- 333.08051 179.2
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.