CID 374583

Nsc652556

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CCCC(C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C)O
InChI
InChI=1S/C18H20N2O3/c1-4-5-16(21)12-6-7-14-13(9-12)17-11(3)15(20(22)23)8-10(2)18(17)19-14/h6-9,16,19,21H,4-5H2,1-3H3
InChIKey
SUHUHRCJFKHDNW-UHFFFAOYSA-N
Compound name
1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 172.9
[M+Na]+ 335.13662 181.2
[M-H]- 311.14012 175.3
[M+NH4]+ 330.18122 188.6
[M+K]+ 351.11056 171.5
[M+H-H2O]+ 295.14466 170.9
[M+HCOO]- 357.14560 191.9
[M+CH3COO]- 371.16125 200.6
[M+Na-2H]- 333.12207 177.1
[M]+ 312.14685 173.9
[M]- 312.14795 173.9
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.