CID 3007721

Schembl4580154

Structural Information

Molecular Formula
C19H17ClN2O3
SMILES
CC1(C2=C(C=CC(=C2)Cl)N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C
InChI
InChI=1S/C19H17ClN2O3/c1-18(2)15-11-13(20)4-6-16(15)21(3)19(18)9-8-12-10-14(22(23)24)5-7-17(12)25-19/h4-11H,1-3H3
InChIKey
TWTUNSPZNQWUEJ-UHFFFAOYSA-N
Compound name
5'-chloro-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

356.09277 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10005 181.6
[M+Na]+ 379.08199 192.1
[M-H]- 355.08549 188.9
[M+NH4]+ 374.12659 200.1
[M+K]+ 395.05593 183.0
[M+H-H2O]+ 339.09003 178.7
[M+HCOO]- 401.09097 195.6
[M+CH3COO]- 415.10662 208.3
[M+Na-2H]- 377.06744 188.9
[M]+ 356.09222 184.5
[M]- 356.09332 184.5
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

patents stripe