CID 53325

9-(o-iodoanilino)acridine hydrochloride

Structural Information

Molecular Formula
C19H13IN2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC=C4I
InChI
InChI=1S/C19H13IN2/c20-15-9-3-6-12-18(15)22-19-13-7-1-4-10-16(13)21-17-11-5-2-8-14(17)19/h1-12H,(H,21,22)
InChIKey
YPTKKTRAGNKREQ-UHFFFAOYSA-N
Compound name
N-(2-iodophenyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

396.01236 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.01964 168.2
[M+Na]+ 419.00158 170.7
[M-H]- 395.00508 167.7
[M+NH4]+ 414.04618 179.0
[M+K]+ 434.97552 169.4
[M+H-H2O]+ 379.00962 154.9
[M+HCOO]- 441.01056 185.7
[M+CH3COO]- 455.02621 175.7
[M+Na-2H]- 416.98703 167.3
[M]+ 396.01181 165.7
[M]- 396.01291 165.7
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

No patent data available for this compound.