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

13
Patents

370.16812 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17540 188.9
[M+Na]+ 393.15734 196.3
[M-H]- 369.16084 197.3
[M+NH4]+ 388.20194 202.6
[M+K]+ 409.13128 190.2
[M+H-H2O]+ 353.16538 179.4
[M+HCOO]- 415.16632 209.2
[M+CH3COO]- 429.18197 198.9
[M+Na-2H]- 391.14279 192.3
[M]+ 370.16757 189.1
[M]- 370.16867 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