CID 6445673

1,5,8,12-tetraazatricyclo(10.4.4.2(sup 5,8))docosa-14,18-diene-13,16,17,20-tetrone, (z,z)-

Structural Information

Molecular Formula
C18H24N4O4
SMILES
C1CN2C(=O)/C=C\C(=O)N(C(=O)/C=C\C2=O)CCCN3CCN(C1)CC3
InChI
InChI=1S/C18H24N4O4/c23-15-3-5-17(25)22-10-2-8-20-13-11-19(12-14-20)7-1-9-21(15)16(24)4-6-18(22)26/h3-6H,1-2,7-14H2/b5-3-,6-4-
InChIKey
RXWDWGSLSQQBNY-GLIMQPGKSA-N
Compound name
(14Z,18Z)-1,5,8,12-tetrazatricyclo[10.4.4.25,8]docosa-14,18-diene-13,16,17,20-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.17975 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.187026 186.4
[M+Na]+ 383.168968 179.2
[M-H]- 359.172474 157.6
[M+NH4]+ 378.213573 188.6
[M+K]+ 399.142908 183.4
[M+H-H2O]+ 343.177010 187.4
[M+HCOO]- 405.177951 174.3
[M+CH3COO]- 419.193601 181.5
[M+Na-2H]- 381.154416 189.2
[M]+ 360.17920142 177.8
[M]- 360.18029858 177.8
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.