CID 100629

77282-45-2

Structural Information

Molecular Formula
C18H16N4O3
SMILES
COC1=C(C2=NC3=C(C=C2C=C1)C(=O)C(=C(C3=O)N4CC4)N5CC5)N
InChI
InChI=1S/C18H16N4O3/c1-25-11-3-2-9-8-10-14(20-13(9)12(11)19)18(24)16(22-6-7-22)15(17(10)23)21-4-5-21/h2-3,8H,4-7,19H2,1H3
InChIKey
HPXGEVYIGIMXOU-UHFFFAOYSA-N
Compound name
5-amino-2,3-bis(aziridin-1-yl)-6-methoxyacridine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12225 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12953 203.7
[M+Na]+ 359.11147 214.2
[M-H]- 335.11497 210.2
[M+NH4]+ 354.15607 204.8
[M+K]+ 375.08541 206.5
[M+H-H2O]+ 319.11951 195.2
[M+HCOO]- 381.12045 217.9
[M+CH3COO]- 395.13610 210.1
[M+Na-2H]- 357.09692 202.9
[M]+ 336.12170 208.0
[M]- 336.12280 208.0
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.