CID 111659

68856-25-7

Structural Information

Molecular Formula
C22H21N3O5
SMILES
CC(C)OCCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C22H21N3O5/c1-10(2)30-9-5-8-25-21(28)15-16(22(25)29)18(24)14-13(17(15)23)19(26)11-6-3-4-7-12(11)20(14)27/h3-4,6-7,10H,5,8-9,23-24H2,1-2H3
InChIKey
CLWTUYRFIABBIN-UHFFFAOYSA-N
Compound name
4,11-diamino-2-(3-propan-2-yloxypropyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

407.14813 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15541 196.5
[M+Na]+ 430.13735 210.6
[M+NH4]+ 425.18195 201.8
[M+K]+ 446.11129 206.0
[M-H]- 406.14085 198.8
[M+Na-2H]- 428.12280 198.7
[M]+ 407.14758 199.0
[M]- 407.14868 199.0
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