CID 375388

Nsc655060

Structural Information

Molecular Formula
C21H18N2O2
SMILES
CC1=C(C=CC(=C1)OC(=O)C)NN2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C21H18N2O2/c1-14-13-16(25-15(2)24)11-12-19(14)22-23-20-9-5-3-7-17(20)18-8-4-6-10-21(18)23/h3-13,22H,1-2H3
InChIKey
NXKCPQKYXQJKFR-UHFFFAOYSA-N
Compound name
[4-(carbazol-9-ylamino)-3-methylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.13684 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14412 177.9
[M+Na]+ 353.12606 187.5
[M-H]- 329.12956 186.0
[M+NH4]+ 348.17066 194.1
[M+K]+ 369.10000 181.7
[M+H-H2O]+ 313.13410 169.0
[M+HCOO]- 375.13504 200.7
[M+CH3COO]- 389.15069 189.7
[M+Na-2H]- 351.11151 182.8
[M]+ 330.13629 181.8
[M]- 330.13739 181.8
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.