CID 374603

Nsc652571

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CCOC(=O)OC1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)N)C
InChI
InChI=1S/C17H18N2O3/c1-4-21-17(20)22-11-5-6-14-12(8-11)15-10(3)13(18)7-9(2)16(15)19-14/h5-8,19H,4,18H2,1-3H3
InChIKey
RRVZCEZDWWGADN-UHFFFAOYSA-N
Compound name
(6-amino-5,8-dimethyl-9H-carbazol-3-yl) ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.13174 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.5
[M+Na]+ 321.12096 180.1
[M-H]- 297.12446 173.2
[M+NH4]+ 316.16556 187.1
[M+K]+ 337.09490 175.3
[M+H-H2O]+ 281.12900 162.8
[M+HCOO]- 343.12994 190.4
[M+CH3COO]- 357.14559 205.7
[M+Na-2H]- 319.10641 172.4
[M]+ 298.13119 173.7
[M]- 298.13229 173.7
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