CID 81154

6647-27-4

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CC(C)CN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H17N3O4/c1-8(2)7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-3-4-6-10(9)18(12)25/h3-6,8H,7,21-22H2,1-2H3
InChIKey
HDKCUVFLXISKKK-UHFFFAOYSA-N
Compound name
4,11-diamino-2-(2-methylpropyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12192 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.129196 184.6
[M+Na]+ 386.111138 198.9
[M-H]- 362.114644 191.6
[M+NH4]+ 381.155743 200.8
[M+K]+ 402.085078 193.0
[M+H-H2O]+ 346.119180 177.3
[M+HCOO]- 408.120121 207.5
[M+CH3COO]- 422.135771 226.6
[M+Na-2H]- 384.096586 186.9
[M]+ 363.12137142 191.2
[M]- 363.12246858 191.2
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.