PubChemLite - Pyrazoloacridine (C19H21N5O3)

Structural Information

Molecular Formula

SMILES

CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC

InChI

InChI=1S/C19H21N5O3/c1-22(2)9-4-10-23-15-7-8-16(24(25)26)19-17(15)18(21-23)13-11-12(27-3)5-6-14(13)20-19/h5-8,11,20H,4,9-10H2,1-3H3

InChIKey

HZCWPKGYTCJSEB-UHFFFAOYSA-N

Compound name

3-(4-methoxy-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	368.17171	183.6
[M+Na]+	390.15365	197.6
[M+NH4]+	385.19825	190.6
[M+K]+	406.12759	194.9
[M-H]-	366.15715	186.6
[M+Na-2H]-	388.13910	186.8
[M]+	367.16388	186.2
[M]-	367.16498	186.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.17171

183.6

[M+Na]+

390.15365

197.6

[M+NH4]+

385.19825

190.6

[M+K]+

406.12759

194.9

[M-H]-

366.15715

186.6

[M+Na-2H]-

388.13910

186.8

[M]+

367.16388

186.2

[M]-

367.16498

186.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pyrazoloacridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe