CID 146928

Ccris 3390

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CC1=CC=C(C2=C(C3=CC=CC=C3N=C12)NCCCN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O2/c1-13-9-10-16(23(24)25)17-18(13)21-15-8-5-4-7-14(15)19(17)20-11-6-12-22(2)3/h4-5,7-10H,6,11-12H2,1-3H3,(H,20,21)
InChIKey
OTZKWZWFTBATFL-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(4-methyl-1-nitroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.1743 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.181576 178.1
[M+Na]+ 361.163518 184.6
[M-H]- 337.167024 183.5
[M+NH4]+ 356.208123 191.8
[M+K]+ 377.137458 176.5
[M+H-H2O]+ 321.171560 173.1
[M+HCOO]- 383.172501 202.2
[M+CH3COO]- 397.188151 218.1
[M+Na-2H]- 359.148966 187.1
[M]+ 338.17375142 180.8
[M]- 338.17484858 180.8
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.