CID 232646

9,10-bis-(formamido)-anthracene

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2NC=O)NC=O
InChI
InChI=1S/C16H12N2O2/c19-9-17-15-11-5-1-2-6-12(11)16(18-10-20)14-8-4-3-7-13(14)15/h1-10H,(H,17,19)(H,18,20)
InChIKey
PYSPQAXLYSCIOC-UHFFFAOYSA-N
Compound name
N-(10-formamidoanthracen-9-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

264.08987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 154.4
[M+Na]+ 287.079088 164.0
[M-H]- 263.082594 160.5
[M+NH4]+ 282.123693 172.7
[M+K]+ 303.053028 158.8
[M+H-H2O]+ 247.087130 146.8
[M+HCOO]- 309.088071 180.5
[M+CH3COO]- 323.103721 167.5
[M+Na-2H]- 285.064536 165.2
[M]+ 264.08932142 157.0
[M]- 264.09041858 157.0
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