CID 9570784

Acridine-4,5-dicarboxaldehyde, 3,6-bis(dimethylamino)-, 5-(2,2-di-(2-chloroethyl)hydrazone)

Structural Information

Molecular Formula
C23H27Cl2N5O
SMILES
CN(C)C1=C(C2=NC3=C(C=CC(=C3C=O)N(C)C)C=C2C=C1)/C=N/N(CCCl)CCCl
InChI
InChI=1S/C23H27Cl2N5O/c1-28(2)20-7-5-16-13-17-6-8-21(29(3)4)19(15-31)23(17)27-22(16)18(20)14-26-30(11-9-24)12-10-25/h5-8,13-15H,9-12H2,1-4H3/b26-14+
InChIKey
KLRJINLLADMHID-VULFUBBASA-N
Compound name
5-[(E)-[bis(2-chloroethyl)hydrazinylidene]methyl]-3,6-bis(dimethylamino)acridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.15927 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16655 213.9
[M+Na]+ 482.14849 222.2
[M-H]- 458.15199 222.0
[M+NH4]+ 477.19309 226.5
[M+K]+ 498.12243 217.3
[M+H-H2O]+ 442.15653 204.3
[M+HCOO]- 504.15747 231.0
[M+CH3COO]- 518.17312 255.1
[M+Na-2H]- 480.13394 216.9
[M]+ 459.15872 226.4
[M]- 459.15982 226.4
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.