CID 103113

65059-99-6

Structural Information

Molecular Formula
C22H23N4O4
SMILES
C[N+](C)(C)CCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C22H22N4O4/c1-26(2,3)10-6-9-25-21(29)15-16(22(25)30)18(24)14-13(17(15)23)19(27)11-7-4-5-8-12(11)20(14)28/h4-5,7-8H,6,9-10H2,1-3H3,(H3-,23,24,27,28,29,30)/p+1
InChIKey
RZCRUBDEZCLMGR-UHFFFAOYSA-O
Compound name
3-(4,11-diamino-1,3,5,10-tetraoxonaphtho[2,3-f]isoindol-2-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

407.17194 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17922 194.0
[M+Na]+ 430.16116 209.9
[M+NH4]+ 425.20576 201.0
[M+K]+ 446.13510 205.7
[M-H]- 406.16466 199.0
[M+Na-2H]- 428.14661 198.5
[M]+ 407.17139 198.0
[M]- 407.17249 198.0
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