CID 364434

Amchloramide

Structural Information

Molecular Formula
C24H24ClN5O3S
SMILES
CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)S(=O)(=O)N)Cl
InChI
InChI=1S/C24H24ClN5O3S/c1-30(2)14-13-27-24(31)18-11-12-19(25)21-22(17-5-3-4-6-20(17)29-23(18)21)28-15-7-9-16(10-8-15)34(26,32)33/h3-12H,13-14H2,1-2H3,(H,27,31)(H,28,29)(H2,26,32,33)
InChIKey
NBJBYEWUDQCCEY-UHFFFAOYSA-N
Compound name
1-chloro-N-[2-(dimethylamino)ethyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

497.12885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.13613 213.6
[M+Na]+ 520.11807 221.0
[M-H]- 496.12157 221.4
[M+NH4]+ 515.16267 221.7
[M+K]+ 536.09201 215.0
[M+H-H2O]+ 480.12611 204.5
[M+HCOO]- 542.12705 226.6
[M+CH3COO]- 556.14270 250.4
[M+Na-2H]- 518.10352 220.0
[M]+ 497.12830 220.8
[M]- 497.12940 220.8
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.