CID 99766

Spiro[2h-1-benzopyran-2,2'-[2h]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-

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)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21(22)23)8-9-17(13)24-19/h4-12H,1-3H3
InChIKey
PSXPTGAEJZYNFI-UHFFFAOYSA-N
Compound name
1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

524
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

literature stripe

Patent stripe

patents stripe