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

52
Patents

223.1361 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.143376 151.0
[M+Na]+ 246.125318 162.4
[M-H]- 222.128824 156.0
[M+NH4]+ 241.169923 174.9
[M+K]+ 262.099258 156.7
[M+H-H2O]+ 206.133360 144.8
[M+HCOO]- 268.134301 171.2
[M+CH3COO]- 282.149951 164.7
[M+Na-2H]- 244.110766 156.1
[M]+ 223.13555142 151.8
[M]- 223.13664858 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