CID 339455

Pyrazoloacridine

Structural Information

Molecular Formula
C19H21N5O3
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

compound 2d structure
4
Annotation Hits

48
References

8389
Patents

367.16443 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 184.9
[M+Na]+ 390.15365 192.0
[M-H]- 366.15715 187.2
[M+NH4]+ 385.19825 197.2
[M+K]+ 406.12759 183.3
[M+H-H2O]+ 350.16169 179.6
[M+HCOO]- 412.16263 203.0
[M+CH3COO]- 426.17828 218.5
[M+Na-2H]- 388.13910 193.0
[M]+ 367.16388 188.8
[M]- 367.16498 188.8
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.