CID 629854

N-(9-anthracenylmethylene)-4-nitroaniline

Structural Information

Molecular Formula
C21H14N2O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H14N2O2/c24-23(25)18-11-9-17(10-12-18)22-14-21-19-7-3-1-5-15(19)13-16-6-2-4-8-20(16)21/h1-14H
InChIKey
TUWBQJMDQGUWGQ-UHFFFAOYSA-N
Compound name
1-anthracen-9-yl-N-(4-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10553 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11281 174.1
[M+Na]+ 349.09475 181.4
[M-H]- 325.09825 183.7
[M+NH4]+ 344.13935 188.8
[M+K]+ 365.06869 171.3
[M+H-H2O]+ 309.10279 168.4
[M+HCOO]- 371.10373 199.9
[M+CH3COO]- 385.11938 209.4
[M+Na-2H]- 347.08020 184.8
[M]+ 326.10498 174.3
[M]- 326.10608 174.3
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.