CID 145343

99643-38-6

Structural Information

Molecular Formula
C21H28N4
SMILES
CC1=CC2=C(C=C1C)N(C3(N2C)N(C4=C(N3C)C=C(C(=C4)C)C)C)C
InChI
InChI=1S/C21H28N4/c1-13-9-17-18(10-14(13)2)23(6)21(22(17)5)24(7)19-11-15(3)16(4)12-20(19)25(21)8/h9-12H,1-8H3
InChIKey
MTFYBWKFOIZUKS-UHFFFAOYSA-N
Compound name
1,1',3,3',5,5',6,6'-octamethyl-2,2'-spirobi[benzimidazole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23138 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23866 188.2
[M+Na]+ 359.22060 202.2
[M-H]- 335.22410 192.6
[M+NH4]+ 354.26520 206.5
[M+K]+ 375.19454 195.0
[M+H-H2O]+ 319.22864 180.0
[M+HCOO]- 381.22958 202.9
[M+CH3COO]- 395.24523 199.4
[M+Na-2H]- 357.20605 184.9
[M]+ 336.23083 192.5
[M]- 336.23193 192.5
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.