CID 447089

Chembl157935

Structural Information

Molecular Formula
C18H19BrN4O
SMILES
CN(C)CCNC(=O)C1=CC=CC2=C(C3=C(C(=CC=C3)Br)N=C21)N
InChI
InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKey
NROQPXQSDDINMC-UHFFFAOYSA-N
Compound name
9-amino-5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

386.07422 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.08150 182.2
[M+Na]+ 409.06344 192.3
[M-H]- 385.06694 189.5
[M+NH4]+ 404.10804 197.9
[M+K]+ 425.03738 179.9
[M+H-H2O]+ 369.07148 178.5
[M+HCOO]- 431.07242 202.6
[M+CH3COO]- 445.08807 227.1
[M+Na-2H]- 407.04889 188.9
[M]+ 386.07367 202.3
[M]- 386.07477 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe