CID 134815171

Diazaquinomycin h

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C=C3CCCCCCC(C)C
InChI
InChI=1S/C22H26N2O4/c1-12(2)8-6-4-5-7-9-14-11-16(26)24-20-18(14)21(27)17-13(3)10-15(25)23-19(17)22(20)28/h10-12H,4-9H2,1-3H3,(H,23,25)(H,24,26)
InChIKey
ZMMKQTMMGUIIJM-UHFFFAOYSA-N
Compound name
6-methyl-4-(7-methyloctyl)-1,9-dihydropyrido[3,2-g]quinoline-2,5,8,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

382.18927 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 193.1
[M+Na]+ 405.17849 202.0
[M-H]- 381.18199 193.2
[M+NH4]+ 400.22309 203.5
[M+K]+ 421.15243 194.8
[M+H-H2O]+ 365.18653 184.5
[M+HCOO]- 427.18747 205.7
[M+CH3COO]- 441.20312 221.6
[M+Na-2H]- 403.16394 192.8
[M]+ 382.18872 195.8
[M]- 382.18982 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe