CID 374128

Nsc651555

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)OC)C)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O3/c1-8-6-13(17(18)19)9(2)14-11-7-10(20-3)4-5-12(11)16-15(8)14/h4-7,16H,1-3H3
InChIKey
VBEOXLVPNMQASP-UHFFFAOYSA-N
Compound name
6-methoxy-1,4-dimethyl-3-nitro-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10043 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 159.0
[M+Na]+ 293.08965 169.4
[M-H]- 269.09315 163.3
[M+NH4]+ 288.13425 177.2
[M+K]+ 309.06359 160.6
[M+H-H2O]+ 253.09769 157.1
[M+HCOO]- 315.09863 181.6
[M+CH3COO]- 329.11428 193.5
[M+Na-2H]- 291.07510 166.2
[M]+ 270.09988 161.4
[M]- 270.10098 161.4
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.