CID 82732

10572-60-8

Structural Information

Molecular Formula
C24H22N2O2
SMILES
CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC(C)C)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C24H22N2O2/c1-14(2)25-19-12-13-20(26-16-10-8-15(3)9-11-16)22-21(19)23(27)17-6-4-5-7-18(17)24(22)28/h4-14,25-26H,1-3H3
InChIKey
NCZARQFBEZFMSZ-UHFFFAOYSA-N
Compound name
1-(4-methylanilino)-4-(propan-2-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

370.16812 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.175396 188.9
[M+Na]+ 393.157338 196.3
[M-H]- 369.160844 197.3
[M+NH4]+ 388.201943 202.6
[M+K]+ 409.131278 190.2
[M+H-H2O]+ 353.165380 179.4
[M+HCOO]- 415.166321 209.2
[M+CH3COO]- 429.181971 198.9
[M+Na-2H]- 391.142786 192.3
[M]+ 370.16757142 189.1
[M]- 370.16866858 189.1
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