CID 6445673

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

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]+ 361.18703 186.4
[M+Na]+ 383.16897 179.2
[M-H]- 359.17247 157.6
[M+NH4]+ 378.21357 188.6
[M+K]+ 399.14291 183.4
[M+H-H2O]+ 343.17701 187.4
[M+HCOO]- 405.17795 174.3
[M+CH3COO]- 419.19360 181.5
[M+Na-2H]- 381.15442 189.2
[M]+ 360.17920 177.8
[M]- 360.18030 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.