CID 475608

258849-83-1

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1C(=O)NC2=CC=CC=C2CN1CC=C(C)C
InChI
InChI=1S/C15H20N2O/c1-11(2)8-9-17-10-13-6-4-5-7-14(13)16-15(18)12(17)3/h4-8,12H,9-10H2,1-3H3,(H,16,18)
InChIKey
UQQZLICQYDBFRY-UHFFFAOYSA-N
Compound name
3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 154.7
[M+Na]+ 267.146778 160.5
[M-H]- 243.150284 156.1
[M+NH4]+ 262.191383 169.3
[M+K]+ 283.120718 160.0
[M+H-H2O]+ 227.154820 147.6
[M+HCOO]- 289.155761 169.5
[M+CH3COO]- 303.171411 195.3
[M+Na-2H]- 265.132226 157.2
[M]+ 244.15701142 149.5
[M]- 244.15810858 149.5
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

No patent data available for this compound.