CID 107628

5150-50-5

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C(=CC=C4)[N+](=O)[O-])C)C
InChI
InChI=1S/C19H18N2O3/c1-18(2)14-8-4-5-9-15(14)20(3)19(18)12-11-13-7-6-10-16(21(22)23)17(13)24-19/h4-12H,1-3H3
InChIKey
AZZVYIDATNYVSN-UHFFFAOYSA-N
Compound name
1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

71
Patents

322.13174 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 173.9
[M+Na]+ 345.12096 183.2
[M-H]- 321.12446 181.5
[M+NH4]+ 340.16556 192.9
[M+K]+ 361.09490 175.3
[M+H-H2O]+ 305.12900 170.2
[M+HCOO]- 367.12994 192.6
[M+CH3COO]- 381.14559 203.6
[M+Na-2H]- 343.10641 182.6
[M]+ 322.13119 174.3
[M]- 322.13229 174.3
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.