CID 10751584

2,3-dihydro-1,1,3-trimethyl-2-methylene-1h-benzo[e]indole

Structural Information

Molecular Formula
C16H17N
SMILES
CC1(C(=C)N(C2=C1C3=CC=CC=C3C=C2)C)C
InChI
InChI=1S/C16H17N/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4/h5-10H,1H2,2-4H3
InChIKey
XQWHKLIJFAHNNR-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-2-methylidenebenzo[e]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

223.1361 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 151.0
[M+Na]+ 246.12532 162.4
[M-H]- 222.12882 156.0
[M+NH4]+ 241.16992 174.9
[M+K]+ 262.09926 156.7
[M+H-H2O]+ 206.13336 144.8
[M+HCOO]- 268.13430 171.2
[M+CH3COO]- 282.14995 164.7
[M+Na-2H]- 244.11077 156.1
[M]+ 223.13555 151.8
[M]- 223.13665 151.8
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

patents stripe