CID 149747

63710-43-0

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CC(C)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O2/c1-13(2)20-11-6-12-21-19-14-7-3-4-8-15(14)22-16-9-5-10-17(18(16)19)23(24)25/h3-5,7-10,13,20H,6,11-12H2,1-2H3,(H,21,22)
InChIKey
QXNCBKQFKXJKGD-UHFFFAOYSA-N
Compound name
N-(1-nitroacridin-9-yl)-N'-propan-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

338.1743 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.181576 176.1
[M+Na]+ 361.163518 181.3
[M-H]- 337.167024 179.8
[M+NH4]+ 356.208123 188.8
[M+K]+ 377.137458 172.4
[M+H-H2O]+ 321.171560 171.3
[M+HCOO]- 383.172501 198.8
[M+CH3COO]- 397.188151 214.3
[M+Na-2H]- 359.148966 185.6
[M]+ 338.17375142 176.7
[M]- 338.17484858 176.7
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

patents stripe