CID 6455095

7h,9h-(1)benzopyrano(3',2':3,4)pyrido(2,1-b)quinazoline-6-carboxamide, 3-(diethylamino)-7-imino-

Structural Information

Molecular Formula
C24H23N5O2
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C5C4)C(=O)N)O2
InChI
InChI=1S/C24H23N5O2/c1-3-28(4-2)16-10-9-14-11-17-21(31-19(14)12-16)20(23(26)30)22(25)29-13-15-7-5-6-8-18(15)27-24(17)29/h5-12,25H,3-4,13H2,1-2H3,(H2,26,30)
InChIKey
SCGCMFLZZPDEIQ-UHFFFAOYSA-N
Compound name
18-(diethylamino)-12-imino-15-oxa-3,11-diazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(22),2,4,6,8,13,16(21),17,19-nonaene-13-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.18518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19246 199.8
[M+Na]+ 436.17440 208.3
[M-H]- 412.17790 205.7
[M+NH4]+ 431.21900 209.5
[M+K]+ 452.14834 203.2
[M+H-H2O]+ 396.18244 188.0
[M+HCOO]- 458.18338 216.3
[M+CH3COO]- 472.19903 208.2
[M+Na-2H]- 434.15985 207.2
[M]+ 413.18463 202.3
[M]- 413.18573 202.3
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.