CID 13405516

Brn 4549088

Structural Information

Molecular Formula
C20H16N2O3
SMILES
CC1=CC2=C(C3=CC=CC=C13)OC(C=C2)NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O3/c1-13-12-14-6-11-19(21-15-7-9-16(10-8-15)22(23)24)25-20(14)18-5-3-2-4-17(13)18/h2-12,19,21H,1H3
InChIKey
YMROGFPIIFFMDI-UHFFFAOYSA-N
Compound name
6-methyl-N-(4-nitrophenyl)-2H-benzo[h]chromen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1161 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 174.6
[M+Na]+ 355.10532 180.6
[M-H]- 331.10882 183.3
[M+NH4]+ 350.14992 187.3
[M+K]+ 371.07926 172.5
[M+H-H2O]+ 315.11336 169.4
[M+HCOO]- 377.11430 195.7
[M+CH3COO]- 391.12995 209.4
[M+Na-2H]- 353.09077 184.0
[M]+ 332.11555 173.3
[M]- 332.11665 173.3
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.