CID 388898

Nsc684129

Structural Information

Molecular Formula
C18H18N4O4
SMILES
CN(C)C(=C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-])N(C)C
InChI
InChI=1S/C18H18N4O4/c1-19(2)18(20(3)4)17-15-9-11(21(23)24)5-7-13(15)14-8-6-12(22(25)26)10-16(14)17/h5-10H,1-4H3
InChIKey
MZPWRUXNBOTBRH-UHFFFAOYSA-N
Compound name
1-(2,7-dinitrofluoren-9-ylidene)-N,N,N',N'-tetramethylmethanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 181.1
[M+Na]+ 377.12202 184.4
[M-H]- 353.12552 188.4
[M+NH4]+ 372.16662 195.5
[M+K]+ 393.09596 175.0
[M+H-H2O]+ 337.13006 182.1
[M+HCOO]- 399.13100 205.4
[M+CH3COO]- 413.14665 216.3
[M+Na-2H]- 375.10747 186.8
[M]+ 354.13225 180.0
[M]- 354.13335 180.0
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.