CID 1825879

324780-02-1

Structural Information

Molecular Formula
C18H20N4O4
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C3=C1C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H20N4O4/c1-3-19(4-2)9-10-20-17-7-5-13(21(23)24)11-15(17)16-12-14(22(25)26)6-8-18(16)20/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKey
GRXHSPDYFQLEAA-UHFFFAOYSA-N
Compound name
2-(3,6-dinitrocarbazol-9-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

356.14847 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15575 183.9
[M+Na]+ 379.13769 188.9
[M-H]- 355.14119 189.3
[M+NH4]+ 374.18229 197.2
[M+K]+ 395.11163 177.7
[M+H-H2O]+ 339.14573 184.0
[M+HCOO]- 401.14667 207.9
[M+CH3COO]- 415.16232 211.9
[M+Na-2H]- 377.12314 192.0
[M]+ 356.14792 185.5
[M]- 356.14902 185.5
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

patents stripe