CID 367780

Nsc637719

Structural Information

Molecular Formula
C27H22N2O2
SMILES
CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=CC6=C5CCC6
InChI
InChI=1S/C27H22N2O2/c1-15-14-23(18-11-5-7-16-6-4-10-17(16)18)29-22-13-12-21-24(25(22)28-15)27(31)20-9-3-2-8-19(20)26(21)30/h2-3,5,7-9,11-13,23,29H,4,6,10,14H2,1H3
InChIKey
YGUDWHLZWPTIDY-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4,5-dihydro-3H-naphtho[3,2-g][1,5]benzodiazepine-8,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.16812 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17540 203.0
[M+Na]+ 429.15734 211.8
[M-H]- 405.16084 210.8
[M+NH4]+ 424.20194 215.6
[M+K]+ 445.13128 205.7
[M+H-H2O]+ 389.16538 194.5
[M+HCOO]- 451.16632 214.4
[M+CH3COO]- 465.18197 211.0
[M+Na-2H]- 427.14279 203.3
[M]+ 406.16757 198.3
[M]- 406.16867 198.3
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.